2-[4-[2-[2,6-bis(methoxymethyl)-4-propan-2-ylphenoxy]ethoxy]phenyl]-2-methylbutan-1-ol;3-butan-2-ylphenol;4-butan-2-ylphenol;2-[2-(4-butan-2-ylphenoxy)ethoxy]-1,3-bis(methoxymethyl)-5-methylbenzene;[2-[2-(4-butan-2-ylphenoxy)ethoxy]-3-(hydroxymethyl)-5-methylphenyl]methanol;4-(2-chlorobutan-2-yl)phenol;methane

C112H187ClO16 — CID 158032547

IUPAC2-[4-[2-[2,6-bis(methoxymethyl)-4-propan-2-ylphenoxy]ethoxy]phenyl]-2-methylbutan-1-ol;3-butan-2-ylphenol;4-butan-2-ylphenol;2-[2-(4-butan-2-ylphenoxy)ethoxy]-1,3-bis(methoxymethyl)-5-methylbenzene;[2-[2-(4-butan-2-ylphenoxy)ethoxy]-3-(hydroxymethyl)-5-methylphenyl]methanol;4-(2-chlorobutan-2-yl)phenol;methane
SMILESC.C.C.C.C.C.C.C.C.C.C.C.CCC(C)(CO)c1ccc(OCCOc2c(COC)cc(C(C)C)cc2COC)cc1.CCC(C)(Cl)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(OCCOc2c(CO)cc(C)cc2CO)cc1.CCC(C)c1ccc(OCCOc2c(COC)cc(C)cc2COC)cc1.CCC(C)c1cccc(O)c1
InChIInChI=1S/C26H38O5.C23H32O4.C21H28O4.C10H13ClO.2C10H14O.12CH4/c1-7-26(4,18-27)23-8-10-24(11-9-23)30-12-13-31-25-21(16-28-5)14-20(19(2)3)15-22(25)17-29-6;1-6-18(3)19-7-9-22(10-8-19)26-11-12-27-23-20(15-24-4)13-17(2)14-21(23)16-25-5;1-4-16(3)17-5-7-20(8-6-17)24-9-10-25-21-18(13-22)11-15(2)12-19(21)14-23;1-3-10(2,11)8-4-6-9(12)7-5-8;1-3-8(2)9-4-6-10(11)7-5-9;1-3-8(2)9-5-4-6-10(11)7-9;;;;;;;;;;;;/h8-11,14-15,19,27H,7,12-13,16-18H2,1-6H3;7-10,13-14,18H,6,11-12,15-16H2,1-5H3;5-8,11-12,16,22-23H,4,9-10,13-14H2,1-3H3;4-7,12H,3H2,1-2H3;2*4-8,11H,3H2,1-2H3;12*1H4
InChIKeyFHIWAMVQEFPRRD-UHFFFAOYSA-N
MW1825.16 g/mol
LogP31.13
Rot. Bonds39

About 2-[4-[2-[2,6-bis(methoxymethyl)-4-propan-2-ylphenoxy]ethoxy]phenyl]-2-methylbutan-1-ol;3-butan-2-ylphenol;4-butan-2-ylphenol;2-[2-(4-butan-2-ylphenoxy)ethoxy]-1,3-bis(methoxymethyl)-5-methylbenzene;[2-[2-(4-butan-2-ylphenoxy)ethoxy]-3-(hydroxymethyl)-5-methylphenyl]methanol;4-(2-chlorobutan-2-yl)phenol;methane

2-[4-[2-[2,6-bis(methoxymethyl)-4-propan-2-ylphenoxy]ethoxy]phenyl]-2-methylbutan-1-ol;3-butan-2-ylphenol;4-butan-2-ylphenol;2-[2-(4-butan-2-ylphenoxy)ethoxy]-1,3-bis(methoxymethyl)-5-methylbenzene;[2-[2-(4-butan-2-ylphenoxy)ethoxy]-3-(hydroxymethyl)-5-methylphenyl]methanol;4-(2-chlorobutan-2-yl)phenol;methane (PubChem CID 158032547) has the molecular formula C112H187ClO16 and a molecular weight of 1825.16 g/mol. Its IUPAC name is 2-[4-[2-[2,6-bis(methoxymethyl)-4-propan-2-ylphenoxy]ethoxy]phenyl]-2-methylbutan-1-ol;3-butan-2-ylphenol;4-butan-2-ylphenol;2-[2-(4-butan-2-ylphenoxy)ethoxy]-1,3-bis(methoxymethyl)-5-methylbenzene;[2-[2-(4-butan-2-ylphenoxy)ethoxy]-3-(hydroxymethyl)-5-methylphenyl]methanol;4-(2-chlorobutan-2-yl)phenol;methane.

Molecular Properties

Compound Name2-[4-[2-[2,6-bis(methoxymethyl)-4-propan-2-ylphenoxy]ethoxy]phenyl]-2-methylbutan-1-ol;3-butan-2-ylphenol;4-butan-2-ylphenol;2-[2-(4-butan-2-ylphenoxy)ethoxy]-1,3-bis(methoxymethyl)-5-methylbenzene;[2-[2-(4-butan-2-ylphenoxy)ethoxy]-3-(hydroxymethyl)-5-methylphenyl]methanol;4-(2-chlorobutan-2-yl)phenol;methane
PubChem CID158032547
Molecular FormulaC112H187ClO16
Molecular Weight1825.16 g/mol
Exact Mass1823.35
IUPAC Name2-[4-[2-[2,6-bis(methoxymethyl)-4-propan-2-ylphenoxy]ethoxy]phenyl]-2-methylbutan-1-ol;3-butan-2-ylphenol;4-butan-2-ylphenol;2-[2-(4-butan-2-ylphenoxy)ethoxy]-1,3-bis(methoxymethyl)-5-methylbenzene;[2-[2-(4-butan-2-ylphenoxy)ethoxy]-3-(hydroxymethyl)-5-methylphenyl]methanol;4-(2-chlorobutan-2-yl)phenol;methane
SMILESC.C.C.C.C.C.C.C.C.C.C.C.CCC(C)(CO)c1ccc(OCCOc2c(COC)cc(C(C)C)cc2COC)cc1.CCC(C)(Cl)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(OCCOc2c(CO)cc(C)cc2CO)cc1.CCC(C)c1ccc(OCCOc2c(COC)cc(C)cc2COC)cc1.CCC(C)c1cccc(O)c1
InChIInChI=1S/C26H38O5.C23H32O4.C21H28O4.C10H13ClO.2C10H14O.12CH4/c1-7-26(4,18-27)23-8-10-24(11-9-23)30-12-13-31-25-21(16-28-5)14-20(19(2)3)15-22(25)17-29-6;1-6-18(3)19-7-9-22(10-8-19)26-11-12-27-23-20(15-24-4)13-17(2)14-21(23)16-25-5;1-4-16(3)17-5-7-20(8-6-17)24-9-10-25-21-18(13-22)11-15(2)12-19(21)14-23;1-3-10(2,11)8-4-6-9(12)7-5-8;1-3-8(2)9-4-6-10(11)7-5-9;1-3-8(2)9-5-4-6-10(11)7-9;;;;;;;;;;;;/h8-11,14-15,19,27H,7,12-13,16-18H2,1-6H3;7-10,13-14,18H,6,11-12,15-16H2,1-5H3;5-8,11-12,16,22-23H,4,9-10,13-14H2,1-3H3;4-7,12H,3H2,1-2H3;2*4-8,11H,3H2,1-2H3;12*1H4
InChIKeyFHIWAMVQEFPRRD-UHFFFAOYSA-N
XLogP31.13
TPSA213.68 Ų
H-Bond Donors6
H-Bond Acceptors16
Rotatable Bonds39
Heavy Atoms129
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001825.16
LogP ≤ 531.13
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 2-[4-[2-[2,6-bis(methoxymethyl)-4-propan-2-ylphenoxy]ethoxy]phenyl]-2-methylbutan-1-ol;3-butan-2-ylphenol;4-butan-2-ylphenol;2-[2-(4-butan-2-ylphenoxy)ethoxy]-1,3-bis(methoxymethyl)-5-methylbenzene;[2-[2-(4-butan-2-ylphenoxy)ethoxy]-3-(hydroxymethyl)-5-methylphenyl]methanol;4-(2-chlorobutan-2-yl)phenol;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[2,6-bis(methoxymethyl)-4-propan-2-ylphenoxy]ethoxy]phenyl]-2-methylbutan-1-ol;3-butan-2-ylphenol;4-butan-2-ylphenol;2-[2-(4-butan-2-ylphenoxy)ethoxy]-1,3-bis(methoxymethyl)-5-methylbenzene;[2-[2-(4-butan-2-ylphenoxy)ethoxy]-3-(hydroxymethyl)-5-methylphenyl]methanol;4-(2-chlorobutan-2-yl)phenol;methane?
The IUPAC name of 2-[4-[2-[2,6-bis(methoxymethyl)-4-propan-2-ylphenoxy]ethoxy]phenyl]-2-methylbutan-1-ol;3-butan-2-ylphenol;4-butan-2-ylphenol;2-[2-(4-butan-2-ylphenoxy)ethoxy]-1,3-bis(methoxymethyl)-5-methylbenzene;[2-[2-(4-butan-2-ylphenoxy)ethoxy]-3-(hydroxymethyl)-5-methylphenyl]methanol;4-(2-chlorobutan-2-yl)phenol;methane (CID 158032547) is 2-[4-[2-[2,6-bis(methoxymethyl)-4-propan-2-ylphenoxy]ethoxy]phenyl]-2-methylbutan-1-ol;3-butan-2-ylphenol;4-butan-2-ylphenol;2-[2-(4-butan-2-ylphenoxy)ethoxy]-1,3-bis(methoxymethyl)-5-methylbenzene;[2-[2-(4-butan-2-ylphenoxy)ethoxy]-3-(hydroxymethyl)-5-methylphenyl]methanol;4-(2-chlorobutan-2-yl)phenol;methane.
What is the SMILES notation for 2-[4-[2-[2,6-bis(methoxymethyl)-4-propan-2-ylphenoxy]ethoxy]phenyl]-2-methylbutan-1-ol;3-butan-2-ylphenol;4-butan-2-ylphenol;2-[2-(4-butan-2-ylphenoxy)ethoxy]-1,3-bis(methoxymethyl)-5-methylbenzene;[2-[2-(4-butan-2-ylphenoxy)ethoxy]-3-(hydroxymethyl)-5-methylphenyl]methanol;4-(2-chlorobutan-2-yl)phenol;methane?
The canonical SMILES for 2-[4-[2-[2,6-bis(methoxymethyl)-4-propan-2-ylphenoxy]ethoxy]phenyl]-2-methylbutan-1-ol;3-butan-2-ylphenol;4-butan-2-ylphenol;2-[2-(4-butan-2-ylphenoxy)ethoxy]-1,3-bis(methoxymethyl)-5-methylbenzene;[2-[2-(4-butan-2-ylphenoxy)ethoxy]-3-(hydroxymethyl)-5-methylphenyl]methanol;4-(2-chlorobutan-2-yl)phenol;methane is C.C.C.C.C.C.C.C.C.C.C.C.CCC(C)(CO)c1ccc(OCCOc2c(COC)cc(C(C)C)cc2COC)cc1.CCC(C)(Cl)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(OCCOc2c(CO)cc(C)cc2CO)cc1.CCC(C)c1ccc(OCCOc2c(COC)cc(C)cc2COC)cc1.CCC(C)c1cccc(O)c1.
What is the InChIKey of 2-[4-[2-[2,6-bis(methoxymethyl)-4-propan-2-ylphenoxy]ethoxy]phenyl]-2-methylbutan-1-ol;3-butan-2-ylphenol;4-butan-2-ylphenol;2-[2-(4-butan-2-ylphenoxy)ethoxy]-1,3-bis(methoxymethyl)-5-methylbenzene;[2-[2-(4-butan-2-ylphenoxy)ethoxy]-3-(hydroxymethyl)-5-methylphenyl]methanol;4-(2-chlorobutan-2-yl)phenol;methane?
The InChIKey is FHIWAMVQEFPRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38O5.C23H32O4.C21H28O4.C10H13ClO.2C10H14O.12CH4/c1-7-26(4,18-27)23-8-10-24(11-9-23)30-12-13-31-25-21(16-28-5)14-20(19(2)3)15-22(25)17-29-6;1-6-18(3)19-7-9-22(10-8-19)26-11-12-27-23-20(15-24-4)13-17(2)14-21(23)16-25-5;1-4-16(3)17-5-7-20(8-6-17)24-9-10-25-21-18(13-22)11-15(2)12-19(21)14-23;1-3-10(2,11)8-4-6-9(12)7-5-8;1-3-8(2)9-4-6-10(11)7-5-9;1-3-8(2)9-5-4-6-10(11)7-9;;;;;;;;;;;;/h8-11,14-15,19,27H,7,12-13,16-18H2,1-6H3;7-10,13-14,18H,6,11-12,15-16H2,1-5H3;5-8,11-12,16,22-23H,4,9-10,13-14H2,1-3H3;4-7,12H,3H2,1-2H3;2*4-8,11H,3H2,1-2H3;12*1H4.
What are the key properties of 2-[4-[2-[2,6-bis(methoxymethyl)-4-propan-2-ylphenoxy]ethoxy]phenyl]-2-methylbutan-1-ol;3-butan-2-ylphenol;4-butan-2-ylphenol;2-[2-(4-butan-2-ylphenoxy)ethoxy]-1,3-bis(methoxymethyl)-5-methylbenzene;[2-[2-(4-butan-2-ylphenoxy)ethoxy]-3-(hydroxymethyl)-5-methylphenyl]methanol;4-(2-chlorobutan-2-yl)phenol;methane?
2-[4-[2-[2,6-bis(methoxymethyl)-4-propan-2-ylphenoxy]ethoxy]phenyl]-2-methylbutan-1-ol;3-butan-2-ylphenol;4-butan-2-ylphenol;2-[2-(4-butan-2-ylphenoxy)ethoxy]-1,3-bis(methoxymethyl)-5-methylbenzene;[2-[2-(4-butan-2-ylphenoxy)ethoxy]-3-(hydroxymethyl)-5-methylphenyl]methanol;4-(2-chlorobutan-2-yl)phenol;methane has a molecular weight of 1825.16 g/mol, XLogP of 31.13, 39 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[2,6-bis(methoxymethyl)-4-propan-2-ylphenoxy]ethoxy]phenyl]-2-methylbutan-1-ol;3-butan-2-ylphenol;4-butan-2-ylphenol;2-[2-(4-butan-2-ylphenoxy)ethoxy]-1,3-bis(methoxymethyl)-5-methylbenzene;[2-[2-(4-butan-2-ylphenoxy)ethoxy]-3-(hydroxymethyl)-5-methylphenyl]methanol;4-(2-chlorobutan-2-yl)phenol;methane is sourced from PubChem (CID 158032547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).