6-chloro-4-propan-2-ylnaphthalen-2-ol;7-chloro-4-propan-2-ylnaphthalen-2-ol;6-fluoro-7-propan-2-yl-1H-indole;1-fluoro-4-propan-2-ylnaphthalen-2-ol;2-methoxy-1-propan-2-ylnaphthalene;2-methylidene-8-propan-2-yl-3,4-dihydro-1H-quinazolin-6-ol;2-methylidene-8-propan-2-yl-3,4-dihydro-1H-quinolin-6-ol;2-methyl-8-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol;5-methyl-4-propan-2-yl-1H-indene;6-methyl-7-propan-2-yl-1H-indole;6-methyl-4-propan-2-ylnaphthalen-2-ol;7-methyl-4-propan-2-ylnaphthalen-2-ol;8-propan-2-ylcinnoline;4-propan-2-yl-7H-cyclopenta[b]pyridine;1-propan-2-yl-5H-cyclopenta[c]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;4-propan-2-ylnaphthalen-2-ol;8-propan-2-ylquinolin-6-ol;4-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-ol

C237H278Cl2F2N12O12 — CID 159730190

IUPAC6-chloro-4-propan-2-ylnaphthalen-2-ol;7-chloro-4-propan-2-ylnaphthalen-2-ol;6-fluoro-7-propan-2-yl-1H-indole;1-fluoro-4-propan-2-ylnaphthalen-2-ol;2-methoxy-1-propan-2-ylnaphthalene;2-methylidene-8-propan-2-yl-3,4-dihydro-1H-quinazolin-6-ol;2-methylidene-8-propan-2-yl-3,4-dihydro-1H-quinolin-6-ol;2-methyl-8-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol;5-methyl-4-propan-2-yl-1H-indene;6-methyl-7-propan-2-yl-1H-indole;6-methyl-4-propan-2-ylnaphthalen-2-ol;7-methyl-4-propan-2-ylnaphthalen-2-ol;8-propan-2-ylcinnoline;4-propan-2-yl-7H-cyclopenta[b]pyridine;1-propan-2-yl-5H-cyclopenta[c]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;4-propan-2-ylnaphthalen-2-ol;8-propan-2-ylquinolin-6-ol;4-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESC=C1CCc2cc(O)cc(C(C)C)c2N1.C=C1NCc2cc(O)cc(C(C)C)c2N1.CC(C)c1c(F)ccc2cc[nH]c12.CC(C)c1cc(O)c(F)c2ccccc12.CC(C)c1cc(O)cc2c1CCCC2.CC(C)c1cc(O)cc2c1CN(C)CC2.CC(C)c1cc(O)cc2cc(Cl)ccc12.CC(C)c1cc(O)cc2ccc(Cl)cc12.CC(C)c1cc(O)cc2ccccc12.CC(C)c1cc(O)cc2cccnc12.CC(C)c1cccc2ccnnc12.CC(C)c1ccnc2c1C=CC2.CC(C)c1cncc2c1C=CC2.CC(C)c1nccc2c1C=CC2.COc1ccc2ccccc2c1C(C)C.Cc1ccc2c(C(C)C)cc(O)cc2c1.Cc1ccc2c(c1C(C)C)C=CC2.Cc1ccc2cc(O)cc(C(C)C)c2c1.Cc1ccc2cc[nH]c2c1C(C)C
InChIInChI=1S/3C14H16O.2C13H13ClO.C13H13FO.C13H19NO.C13H17NO.C13H18O.C13H14O.C13H16.C12H16N2O.C12H13NO.C12H15N.C11H12FN.C11H12N2.3C11H13N/c1-9(2)14-8-12(15)7-11-6-10(3)4-5-13(11)14;1-9(2)13-8-12(15)7-11-5-4-10(3)6-14(11)13;1-10(2)14-12-7-5-4-6-11(12)8-9-13(14)15-3;1-8(2)13-7-11(15)6-9-5-10(14)3-4-12(9)13;1-8(2)12-7-11(15)5-9-3-4-10(14)6-13(9)12;1-8(2)11-7-12(15)13(14)10-6-4-3-5-9(10)11;1-9(2)12-7-11(15)6-10-4-5-14(3)8-13(10)12;1-8(2)12-7-11(15)6-10-5-4-9(3)14-13(10)12;2*1-9(2)13-8-11(14)7-10-5-3-4-6-12(10)13;1-9(2)13-10(3)7-8-11-5-4-6-12(11)13;1-7(2)11-5-10(15)4-9-6-13-8(3)14-12(9)11;1-8(2)11-7-10(14)6-9-4-3-5-13-12(9)11;1-8(2)11-9(3)4-5-10-6-7-13-12(10)11;1-7(2)10-9(12)4-3-8-5-6-13-11(8)10;1-8(2)10-5-3-4-9-6-7-12-13-11(9)10;1-8(2)11-7-12-6-9-4-3-5-10(9)11;1-8(2)9-6-7-12-11-5-3-4-10(9)11;1-8(2)11-10-5-3-4-9(10)6-7-12-11/h2*4-9,15H,1-3H3;4-10H,1-3H3;3*3-8,15H,1-2H3;6-7,9,15H,4-5,8H2,1-3H3;6-8,14-15H,3-5H2,1-2H3;7-9,14H,3-6H2,1-2H3;3-9,14H,1-2H3;4,6-9H,5H2,1-3H3;4-5,7,13-15H,3,6H2,1-2H3;3-8,14H,1-2H3;4-8,13H,1-3H3;3-7,13H,1-2H3;3-8H,1-2H3;3,5-8H,4H2,1-2H3;3-4,6-8H,5H2,1-2H3;3,5-8H,4H2,1-2H3
InChIKeyNBDJKUDSNXYIMG-UHFFFAOYSA-N
MW3595.80 g/mol
LogP64.69
Rot. Bonds20

About 6-chloro-4-propan-2-ylnaphthalen-2-ol;7-chloro-4-propan-2-ylnaphthalen-2-ol;6-fluoro-7-propan-2-yl-1H-indole;1-fluoro-4-propan-2-ylnaphthalen-2-ol;2-methoxy-1-propan-2-ylnaphthalene;2-methylidene-8-propan-2-yl-3,4-dihydro-1H-quinazolin-6-ol;2-methylidene-8-propan-2-yl-3,4-dihydro-1H-quinolin-6-ol;2-methyl-8-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol;5-methyl-4-propan-2-yl-1H-indene;6-methyl-7-propan-2-yl-1H-indole;6-methyl-4-propan-2-ylnaphthalen-2-ol;7-methyl-4-propan-2-ylnaphthalen-2-ol;8-propan-2-ylcinnoline;4-propan-2-yl-7H-cyclopenta[b]pyridine;1-propan-2-yl-5H-cyclopenta[c]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;4-propan-2-ylnaphthalen-2-ol;8-propan-2-ylquinolin-6-ol;4-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-ol

6-chloro-4-propan-2-ylnaphthalen-2-ol;7-chloro-4-propan-2-ylnaphthalen-2-ol;6-fluoro-7-propan-2-yl-1H-indole;1-fluoro-4-propan-2-ylnaphthalen-2-ol;2-methoxy-1-propan-2-ylnaphthalene;2-methylidene-8-propan-2-yl-3,4-dihydro-1H-quinazolin-6-ol;2-methylidene-8-propan-2-yl-3,4-dihydro-1H-quinolin-6-ol;2-methyl-8-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol;5-methyl-4-propan-2-yl-1H-indene;6-methyl-7-propan-2-yl-1H-indole;6-methyl-4-propan-2-ylnaphthalen-2-ol;7-methyl-4-propan-2-ylnaphthalen-2-ol;8-propan-2-ylcinnoline;4-propan-2-yl-7H-cyclopenta[b]pyridine;1-propan-2-yl-5H-cyclopenta[c]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;4-propan-2-ylnaphthalen-2-ol;8-propan-2-ylquinolin-6-ol;4-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 159730190) has the molecular formula C237H278Cl2F2N12O12 and a molecular weight of 3595.80 g/mol. Its IUPAC name is 6-chloro-4-propan-2-ylnaphthalen-2-ol;7-chloro-4-propan-2-ylnaphthalen-2-ol;6-fluoro-7-propan-2-yl-1H-indole;1-fluoro-4-propan-2-ylnaphthalen-2-ol;2-methoxy-1-propan-2-ylnaphthalene;2-methylidene-8-propan-2-yl-3,4-dihydro-1H-quinazolin-6-ol;2-methylidene-8-propan-2-yl-3,4-dihydro-1H-quinolin-6-ol;2-methyl-8-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol;5-methyl-4-propan-2-yl-1H-indene;6-methyl-7-propan-2-yl-1H-indole;6-methyl-4-propan-2-ylnaphthalen-2-ol;7-methyl-4-propan-2-ylnaphthalen-2-ol;8-propan-2-ylcinnoline;4-propan-2-yl-7H-cyclopenta[b]pyridine;1-propan-2-yl-5H-cyclopenta[c]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;4-propan-2-ylnaphthalen-2-ol;8-propan-2-ylquinolin-6-ol;4-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name6-chloro-4-propan-2-ylnaphthalen-2-ol;7-chloro-4-propan-2-ylnaphthalen-2-ol;6-fluoro-7-propan-2-yl-1H-indole;1-fluoro-4-propan-2-ylnaphthalen-2-ol;2-methoxy-1-propan-2-ylnaphthalene;2-methylidene-8-propan-2-yl-3,4-dihydro-1H-quinazolin-6-ol;2-methylidene-8-propan-2-yl-3,4-dihydro-1H-quinolin-6-ol;2-methyl-8-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol;5-methyl-4-propan-2-yl-1H-indene;6-methyl-7-propan-2-yl-1H-indole;6-methyl-4-propan-2-ylnaphthalen-2-ol;7-methyl-4-propan-2-ylnaphthalen-2-ol;8-propan-2-ylcinnoline;4-propan-2-yl-7H-cyclopenta[b]pyridine;1-propan-2-yl-5H-cyclopenta[c]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;4-propan-2-ylnaphthalen-2-ol;8-propan-2-ylquinolin-6-ol;4-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID159730190
Molecular FormulaC237H278Cl2F2N12O12
Molecular Weight3595.80 g/mol
Exact Mass3592.09
IUPAC Name6-chloro-4-propan-2-ylnaphthalen-2-ol;7-chloro-4-propan-2-ylnaphthalen-2-ol;6-fluoro-7-propan-2-yl-1H-indole;1-fluoro-4-propan-2-ylnaphthalen-2-ol;2-methoxy-1-propan-2-ylnaphthalene;2-methylidene-8-propan-2-yl-3,4-dihydro-1H-quinazolin-6-ol;2-methylidene-8-propan-2-yl-3,4-dihydro-1H-quinolin-6-ol;2-methyl-8-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol;5-methyl-4-propan-2-yl-1H-indene;6-methyl-7-propan-2-yl-1H-indole;6-methyl-4-propan-2-ylnaphthalen-2-ol;7-methyl-4-propan-2-ylnaphthalen-2-ol;8-propan-2-ylcinnoline;4-propan-2-yl-7H-cyclopenta[b]pyridine;1-propan-2-yl-5H-cyclopenta[c]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;4-propan-2-ylnaphthalen-2-ol;8-propan-2-ylquinolin-6-ol;4-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESC=C1CCc2cc(O)cc(C(C)C)c2N1.C=C1NCc2cc(O)cc(C(C)C)c2N1.CC(C)c1c(F)ccc2cc[nH]c12.CC(C)c1cc(O)c(F)c2ccccc12.CC(C)c1cc(O)cc2c1CCCC2.CC(C)c1cc(O)cc2c1CN(C)CC2.CC(C)c1cc(O)cc2cc(Cl)ccc12.CC(C)c1cc(O)cc2ccc(Cl)cc12.CC(C)c1cc(O)cc2ccccc12.CC(C)c1cc(O)cc2cccnc12.CC(C)c1cccc2ccnnc12.CC(C)c1ccnc2c1C=CC2.CC(C)c1cncc2c1C=CC2.CC(C)c1nccc2c1C=CC2.COc1ccc2ccccc2c1C(C)C.Cc1ccc2c(C(C)C)cc(O)cc2c1.Cc1ccc2c(c1C(C)C)C=CC2.Cc1ccc2cc(O)cc(C(C)C)c2c1.Cc1ccc2cc[nH]c2c1C(C)C
InChIInChI=1S/3C14H16O.2C13H13ClO.C13H13FO.C13H19NO.C13H17NO.C13H18O.C13H14O.C13H16.C12H16N2O.C12H13NO.C12H15N.C11H12FN.C11H12N2.3C11H13N/c1-9(2)14-8-12(15)7-11-6-10(3)4-5-13(11)14;1-9(2)13-8-12(15)7-11-5-4-10(3)6-14(11)13;1-10(2)14-12-7-5-4-6-11(12)8-9-13(14)15-3;1-8(2)13-7-11(15)6-9-5-10(14)3-4-12(9)13;1-8(2)12-7-11(15)5-9-3-4-10(14)6-13(9)12;1-8(2)11-7-12(15)13(14)10-6-4-3-5-9(10)11;1-9(2)12-7-11(15)6-10-4-5-14(3)8-13(10)12;1-8(2)12-7-11(15)6-10-5-4-9(3)14-13(10)12;2*1-9(2)13-8-11(14)7-10-5-3-4-6-12(10)13;1-9(2)13-10(3)7-8-11-5-4-6-12(11)13;1-7(2)11-5-10(15)4-9-6-13-8(3)14-12(9)11;1-8(2)11-7-10(14)6-9-4-3-5-13-12(9)11;1-8(2)11-9(3)4-5-10-6-7-13-12(10)11;1-7(2)10-9(12)4-3-8-5-6-13-11(8)10;1-8(2)10-5-3-4-9-6-7-12-13-11(9)10;1-8(2)11-7-12-6-9-4-3-5-10(9)11;1-8(2)9-6-7-12-11-5-3-4-10(9)11;1-8(2)11-10-5-3-4-9(10)6-7-12-11/h2*4-9,15H,1-3H3;4-10H,1-3H3;3*3-8,15H,1-2H3;6-7,9,15H,4-5,8H2,1-3H3;6-8,14-15H,3-5H2,1-2H3;7-9,14H,3-6H2,1-2H3;3-9,14H,1-2H3;4,6-9H,5H2,1-3H3;4-5,7,13-15H,3,6H2,1-2H3;3-8,14H,1-2H3;4-8,13H,1-3H3;3-7,13H,1-2H3;3-8H,1-2H3;3,5-8H,4H2,1-2H3;3-4,6-8H,5H2,1-2H3;3,5-8H,4H2,1-2H3
InChIKeyNBDJKUDSNXYIMG-UHFFFAOYSA-N
XLogP64.69
TPSA380.01 Ų
H-Bond Donors16
H-Bond Acceptors22
Rotatable Bonds20
Heavy Atoms265
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003595.80
LogP ≤ 564.69
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze 6-chloro-4-propan-2-ylnaphthalen-2-ol;7-chloro-4-propan-2-ylnaphthalen-2-ol;6-fluoro-7-propan-2-yl-1H-indole;1-fluoro-4-propan-2-ylnaphthalen-2-ol;2-methoxy-1-propan-2-ylnaphthalene;2-methylidene-8-propan-2-yl-3,4-dihydro-1H-quinazolin-6-ol;2-methylidene-8-propan-2-yl-3,4-dihydro-1H-quinolin-6-ol;2-methyl-8-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol;5-methyl-4-propan-2-yl-1H-indene;6-methyl-7-propan-2-yl-1H-indole;6-methyl-4-propan-2-ylnaphthalen-2-ol;7-methyl-4-propan-2-ylnaphthalen-2-ol;8-propan-2-ylcinnoline;4-propan-2-yl-7H-cyclopenta[b]pyridine;1-propan-2-yl-5H-cyclopenta[c]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;4-propan-2-ylnaphthalen-2-ol;8-propan-2-ylquinolin-6-ol;4-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-propan-2-ylnaphthalen-2-ol;7-chloro-4-propan-2-ylnaphthalen-2-ol;6-fluoro-7-propan-2-yl-1H-indole;1-fluoro-4-propan-2-ylnaphthalen-2-ol;2-methoxy-1-propan-2-ylnaphthalene;2-methylidene-8-propan-2-yl-3,4-dihydro-1H-quinazolin-6-ol;2-methylidene-8-propan-2-yl-3,4-dihydro-1H-quinolin-6-ol;2-methyl-8-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol;5-methyl-4-propan-2-yl-1H-indene;6-methyl-7-propan-2-yl-1H-indole;6-methyl-4-propan-2-ylnaphthalen-2-ol;7-methyl-4-propan-2-ylnaphthalen-2-ol;8-propan-2-ylcinnoline;4-propan-2-yl-7H-cyclopenta[b]pyridine;1-propan-2-yl-5H-cyclopenta[c]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;4-propan-2-ylnaphthalen-2-ol;8-propan-2-ylquinolin-6-ol;4-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of 6-chloro-4-propan-2-ylnaphthalen-2-ol;7-chloro-4-propan-2-ylnaphthalen-2-ol;6-fluoro-7-propan-2-yl-1H-indole;1-fluoro-4-propan-2-ylnaphthalen-2-ol;2-methoxy-1-propan-2-ylnaphthalene;2-methylidene-8-propan-2-yl-3,4-dihydro-1H-quinazolin-6-ol;2-methylidene-8-propan-2-yl-3,4-dihydro-1H-quinolin-6-ol;2-methyl-8-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol;5-methyl-4-propan-2-yl-1H-indene;6-methyl-7-propan-2-yl-1H-indole;6-methyl-4-propan-2-ylnaphthalen-2-ol;7-methyl-4-propan-2-ylnaphthalen-2-ol;8-propan-2-ylcinnoline;4-propan-2-yl-7H-cyclopenta[b]pyridine;1-propan-2-yl-5H-cyclopenta[c]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;4-propan-2-ylnaphthalen-2-ol;8-propan-2-ylquinolin-6-ol;4-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-ol (CID 159730190) is 6-chloro-4-propan-2-ylnaphthalen-2-ol;7-chloro-4-propan-2-ylnaphthalen-2-ol;6-fluoro-7-propan-2-yl-1H-indole;1-fluoro-4-propan-2-ylnaphthalen-2-ol;2-methoxy-1-propan-2-ylnaphthalene;2-methylidene-8-propan-2-yl-3,4-dihydro-1H-quinazolin-6-ol;2-methylidene-8-propan-2-yl-3,4-dihydro-1H-quinolin-6-ol;2-methyl-8-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol;5-methyl-4-propan-2-yl-1H-indene;6-methyl-7-propan-2-yl-1H-indole;6-methyl-4-propan-2-ylnaphthalen-2-ol;7-methyl-4-propan-2-ylnaphthalen-2-ol;8-propan-2-ylcinnoline;4-propan-2-yl-7H-cyclopenta[b]pyridine;1-propan-2-yl-5H-cyclopenta[c]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;4-propan-2-ylnaphthalen-2-ol;8-propan-2-ylquinolin-6-ol;4-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 6-chloro-4-propan-2-ylnaphthalen-2-ol;7-chloro-4-propan-2-ylnaphthalen-2-ol;6-fluoro-7-propan-2-yl-1H-indole;1-fluoro-4-propan-2-ylnaphthalen-2-ol;2-methoxy-1-propan-2-ylnaphthalene;2-methylidene-8-propan-2-yl-3,4-dihydro-1H-quinazolin-6-ol;2-methylidene-8-propan-2-yl-3,4-dihydro-1H-quinolin-6-ol;2-methyl-8-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol;5-methyl-4-propan-2-yl-1H-indene;6-methyl-7-propan-2-yl-1H-indole;6-methyl-4-propan-2-ylnaphthalen-2-ol;7-methyl-4-propan-2-ylnaphthalen-2-ol;8-propan-2-ylcinnoline;4-propan-2-yl-7H-cyclopenta[b]pyridine;1-propan-2-yl-5H-cyclopenta[c]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;4-propan-2-ylnaphthalen-2-ol;8-propan-2-ylquinolin-6-ol;4-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for 6-chloro-4-propan-2-ylnaphthalen-2-ol;7-chloro-4-propan-2-ylnaphthalen-2-ol;6-fluoro-7-propan-2-yl-1H-indole;1-fluoro-4-propan-2-ylnaphthalen-2-ol;2-methoxy-1-propan-2-ylnaphthalene;2-methylidene-8-propan-2-yl-3,4-dihydro-1H-quinazolin-6-ol;2-methylidene-8-propan-2-yl-3,4-dihydro-1H-quinolin-6-ol;2-methyl-8-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol;5-methyl-4-propan-2-yl-1H-indene;6-methyl-7-propan-2-yl-1H-indole;6-methyl-4-propan-2-ylnaphthalen-2-ol;7-methyl-4-propan-2-ylnaphthalen-2-ol;8-propan-2-ylcinnoline;4-propan-2-yl-7H-cyclopenta[b]pyridine;1-propan-2-yl-5H-cyclopenta[c]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;4-propan-2-ylnaphthalen-2-ol;8-propan-2-ylquinolin-6-ol;4-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-ol is C=C1CCc2cc(O)cc(C(C)C)c2N1.C=C1NCc2cc(O)cc(C(C)C)c2N1.CC(C)c1c(F)ccc2cc[nH]c12.CC(C)c1cc(O)c(F)c2ccccc12.CC(C)c1cc(O)cc2c1CCCC2.CC(C)c1cc(O)cc2c1CN(C)CC2.CC(C)c1cc(O)cc2cc(Cl)ccc12.CC(C)c1cc(O)cc2ccc(Cl)cc12.CC(C)c1cc(O)cc2ccccc12.CC(C)c1cc(O)cc2cccnc12.CC(C)c1cccc2ccnnc12.CC(C)c1ccnc2c1C=CC2.CC(C)c1cncc2c1C=CC2.CC(C)c1nccc2c1C=CC2.COc1ccc2ccccc2c1C(C)C.Cc1ccc2c(C(C)C)cc(O)cc2c1.Cc1ccc2c(c1C(C)C)C=CC2.Cc1ccc2cc(O)cc(C(C)C)c2c1.Cc1ccc2cc[nH]c2c1C(C)C.
What is the InChIKey of 6-chloro-4-propan-2-ylnaphthalen-2-ol;7-chloro-4-propan-2-ylnaphthalen-2-ol;6-fluoro-7-propan-2-yl-1H-indole;1-fluoro-4-propan-2-ylnaphthalen-2-ol;2-methoxy-1-propan-2-ylnaphthalene;2-methylidene-8-propan-2-yl-3,4-dihydro-1H-quinazolin-6-ol;2-methylidene-8-propan-2-yl-3,4-dihydro-1H-quinolin-6-ol;2-methyl-8-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol;5-methyl-4-propan-2-yl-1H-indene;6-methyl-7-propan-2-yl-1H-indole;6-methyl-4-propan-2-ylnaphthalen-2-ol;7-methyl-4-propan-2-ylnaphthalen-2-ol;8-propan-2-ylcinnoline;4-propan-2-yl-7H-cyclopenta[b]pyridine;1-propan-2-yl-5H-cyclopenta[c]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;4-propan-2-ylnaphthalen-2-ol;8-propan-2-ylquinolin-6-ol;4-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is NBDJKUDSNXYIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/3C14H16O.2C13H13ClO.C13H13FO.C13H19NO.C13H17NO.C13H18O.C13H14O.C13H16.C12H16N2O.C12H13NO.C12H15N.C11H12FN.C11H12N2.3C11H13N/c1-9(2)14-8-12(15)7-11-6-10(3)4-5-13(11)14;1-9(2)13-8-12(15)7-11-5-4-10(3)6-14(11)13;1-10(2)14-12-7-5-4-6-11(12)8-9-13(14)15-3;1-8(2)13-7-11(15)6-9-5-10(14)3-4-12(9)13;1-8(2)12-7-11(15)5-9-3-4-10(14)6-13(9)12;1-8(2)11-7-12(15)13(14)10-6-4-3-5-9(10)11;1-9(2)12-7-11(15)6-10-4-5-14(3)8-13(10)12;1-8(2)12-7-11(15)6-10-5-4-9(3)14-13(10)12;2*1-9(2)13-8-11(14)7-10-5-3-4-6-12(10)13;1-9(2)13-10(3)7-8-11-5-4-6-12(11)13;1-7(2)11-5-10(15)4-9-6-13-8(3)14-12(9)11;1-8(2)11-7-10(14)6-9-4-3-5-13-12(9)11;1-8(2)11-9(3)4-5-10-6-7-13-12(10)11;1-7(2)10-9(12)4-3-8-5-6-13-11(8)10;1-8(2)10-5-3-4-9-6-7-12-13-11(9)10;1-8(2)11-7-12-6-9-4-3-5-10(9)11;1-8(2)9-6-7-12-11-5-3-4-10(9)11;1-8(2)11-10-5-3-4-9(10)6-7-12-11/h2*4-9,15H,1-3H3;4-10H,1-3H3;3*3-8,15H,1-2H3;6-7,9,15H,4-5,8H2,1-3H3;6-8,14-15H,3-5H2,1-2H3;7-9,14H,3-6H2,1-2H3;3-9,14H,1-2H3;4,6-9H,5H2,1-3H3;4-5,7,13-15H,3,6H2,1-2H3;3-8,14H,1-2H3;4-8,13H,1-3H3;3-7,13H,1-2H3;3-8H,1-2H3;3,5-8H,4H2,1-2H3;3-4,6-8H,5H2,1-2H3;3,5-8H,4H2,1-2H3.
What are the key properties of 6-chloro-4-propan-2-ylnaphthalen-2-ol;7-chloro-4-propan-2-ylnaphthalen-2-ol;6-fluoro-7-propan-2-yl-1H-indole;1-fluoro-4-propan-2-ylnaphthalen-2-ol;2-methoxy-1-propan-2-ylnaphthalene;2-methylidene-8-propan-2-yl-3,4-dihydro-1H-quinazolin-6-ol;2-methylidene-8-propan-2-yl-3,4-dihydro-1H-quinolin-6-ol;2-methyl-8-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol;5-methyl-4-propan-2-yl-1H-indene;6-methyl-7-propan-2-yl-1H-indole;6-methyl-4-propan-2-ylnaphthalen-2-ol;7-methyl-4-propan-2-ylnaphthalen-2-ol;8-propan-2-ylcinnoline;4-propan-2-yl-7H-cyclopenta[b]pyridine;1-propan-2-yl-5H-cyclopenta[c]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;4-propan-2-ylnaphthalen-2-ol;8-propan-2-ylquinolin-6-ol;4-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-ol?
6-chloro-4-propan-2-ylnaphthalen-2-ol;7-chloro-4-propan-2-ylnaphthalen-2-ol;6-fluoro-7-propan-2-yl-1H-indole;1-fluoro-4-propan-2-ylnaphthalen-2-ol;2-methoxy-1-propan-2-ylnaphthalene;2-methylidene-8-propan-2-yl-3,4-dihydro-1H-quinazolin-6-ol;2-methylidene-8-propan-2-yl-3,4-dihydro-1H-quinolin-6-ol;2-methyl-8-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol;5-methyl-4-propan-2-yl-1H-indene;6-methyl-7-propan-2-yl-1H-indole;6-methyl-4-propan-2-ylnaphthalen-2-ol;7-methyl-4-propan-2-ylnaphthalen-2-ol;8-propan-2-ylcinnoline;4-propan-2-yl-7H-cyclopenta[b]pyridine;1-propan-2-yl-5H-cyclopenta[c]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;4-propan-2-ylnaphthalen-2-ol;8-propan-2-ylquinolin-6-ol;4-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 3595.80 g/mol, XLogP of 64.69, 20 rotatable bonds, 16 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-propan-2-ylnaphthalen-2-ol;7-chloro-4-propan-2-ylnaphthalen-2-ol;6-fluoro-7-propan-2-yl-1H-indole;1-fluoro-4-propan-2-ylnaphthalen-2-ol;2-methoxy-1-propan-2-ylnaphthalene;2-methylidene-8-propan-2-yl-3,4-dihydro-1H-quinazolin-6-ol;2-methylidene-8-propan-2-yl-3,4-dihydro-1H-quinolin-6-ol;2-methyl-8-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol;5-methyl-4-propan-2-yl-1H-indene;6-methyl-7-propan-2-yl-1H-indole;6-methyl-4-propan-2-ylnaphthalen-2-ol;7-methyl-4-propan-2-ylnaphthalen-2-ol;8-propan-2-ylcinnoline;4-propan-2-yl-7H-cyclopenta[b]pyridine;1-propan-2-yl-5H-cyclopenta[c]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;4-propan-2-ylnaphthalen-2-ol;8-propan-2-ylquinolin-6-ol;4-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 159730190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).