1-(3-cyclopentylpropyl)-3-propoxybenzene;3-ethyl-1-(3-propoxyphenyl)pentan-3-ol;4-methyl-3-propan-2-yl-1-(3-propoxyphenyl)pentan-3-ol;2-methyl-4-(3-propoxyphenyl)butan-2-ol;5-[2-(3-propoxyphenyl)ethyl]nonan-5-ol;2-[2-(3-propoxyphenyl)ethyl]pyridine;3-[2-(3-propoxyphenyl)ethyl]pyridine;2-[2-(3-propoxyphenyl)ethyl]thiophene;6-(3-propoxyphenyl)hexan-1-ol

C147H218N2O14S — CID 158632096

IUPAC1-(3-cyclopentylpropyl)-3-propoxybenzene;3-ethyl-1-(3-propoxyphenyl)pentan-3-ol;4-methyl-3-propan-2-yl-1-(3-propoxyphenyl)pentan-3-ol;2-methyl-4-(3-propoxyphenyl)butan-2-ol;5-[2-(3-propoxyphenyl)ethyl]nonan-5-ol;2-[2-(3-propoxyphenyl)ethyl]pyridine;3-[2-(3-propoxyphenyl)ethyl]pyridine;2-[2-(3-propoxyphenyl)ethyl]thiophene;6-(3-propoxyphenyl)hexan-1-ol
SMILESCCCCC(O)(CCCC)CCc1cccc(OCCC)c1.CCCOc1cccc(CCC(C)(C)O)c1.CCCOc1cccc(CCC(O)(C(C)C)C(C)C)c1.CCCOc1cccc(CCC(O)(CC)CC)c1.CCCOc1cccc(CCCC2CCCC2)c1.CCCOc1cccc(CCCCCCO)c1.CCCOc1cccc(CCc2ccccn2)c1.CCCOc1cccc(CCc2cccnc2)c1.CCCOc1cccc(CCc2cccs2)c1
InChIInChI=1S/C20H34O2.C18H30O2.C17H26O.2C16H19NO.C16H26O2.C15H24O2.C15H18OS.C14H22O2/c1-4-7-13-20(21,14-8-5-2)15-12-18-10-9-11-19(17-18)22-16-6-3;1-6-12-20-17-9-7-8-16(13-17)10-11-18(19,14(2)3)15(4)5;1-2-13-18-17-12-6-11-16(14-17)10-5-9-15-7-3-4-8-15;1-2-11-18-16-7-3-5-14(12-16)8-9-15-6-4-10-17-13-15;1-2-12-18-16-8-5-6-14(13-16)9-10-15-7-3-4-11-17-15;1-4-12-18-15-9-7-8-14(13-15)10-11-16(17,5-2)6-3;1-2-12-17-15-10-7-9-14(13-15)8-5-3-4-6-11-16;1-2-10-16-14-6-3-5-13(12-14)8-9-15-7-4-11-17-15;1-4-10-16-13-7-5-6-12(11-13)8-9-14(2,3)15/h9-11,17,21H,4-8,12-16H2,1-3H3;7-9,13-15,19H,6,10-12H2,1-5H3;6,11-12,14-15H,2-5,7-10,13H2,1H3;3-7,10,12-13H,2,8-9,11H2,1H3;3-8,11,13H,2,9-10,12H2,1H3;7-9,13,17H,4-6,10-12H2,1-3H3;7,9-10,13,16H,2-6,8,11-12H2,1H3;3-7,11-12H,2,8-10H2,1H3;5-7,11,15H,4,8-10H2,1-3H3
InChIKeyHZIAHPDYYGYOOT-UHFFFAOYSA-N
MW2269.43 g/mol
LogP37.30
Rot. Bonds68

About 1-(3-cyclopentylpropyl)-3-propoxybenzene;3-ethyl-1-(3-propoxyphenyl)pentan-3-ol;4-methyl-3-propan-2-yl-1-(3-propoxyphenyl)pentan-3-ol;2-methyl-4-(3-propoxyphenyl)butan-2-ol;5-[2-(3-propoxyphenyl)ethyl]nonan-5-ol;2-[2-(3-propoxyphenyl)ethyl]pyridine;3-[2-(3-propoxyphenyl)ethyl]pyridine;2-[2-(3-propoxyphenyl)ethyl]thiophene;6-(3-propoxyphenyl)hexan-1-ol

1-(3-cyclopentylpropyl)-3-propoxybenzene;3-ethyl-1-(3-propoxyphenyl)pentan-3-ol;4-methyl-3-propan-2-yl-1-(3-propoxyphenyl)pentan-3-ol;2-methyl-4-(3-propoxyphenyl)butan-2-ol;5-[2-(3-propoxyphenyl)ethyl]nonan-5-ol;2-[2-(3-propoxyphenyl)ethyl]pyridine;3-[2-(3-propoxyphenyl)ethyl]pyridine;2-[2-(3-propoxyphenyl)ethyl]thiophene;6-(3-propoxyphenyl)hexan-1-ol (PubChem CID 158632096) has the molecular formula C147H218N2O14S and a molecular weight of 2269.43 g/mol. Its IUPAC name is 1-(3-cyclopentylpropyl)-3-propoxybenzene;3-ethyl-1-(3-propoxyphenyl)pentan-3-ol;4-methyl-3-propan-2-yl-1-(3-propoxyphenyl)pentan-3-ol;2-methyl-4-(3-propoxyphenyl)butan-2-ol;5-[2-(3-propoxyphenyl)ethyl]nonan-5-ol;2-[2-(3-propoxyphenyl)ethyl]pyridine;3-[2-(3-propoxyphenyl)ethyl]pyridine;2-[2-(3-propoxyphenyl)ethyl]thiophene;6-(3-propoxyphenyl)hexan-1-ol.

Molecular Properties

Compound Name1-(3-cyclopentylpropyl)-3-propoxybenzene;3-ethyl-1-(3-propoxyphenyl)pentan-3-ol;4-methyl-3-propan-2-yl-1-(3-propoxyphenyl)pentan-3-ol;2-methyl-4-(3-propoxyphenyl)butan-2-ol;5-[2-(3-propoxyphenyl)ethyl]nonan-5-ol;2-[2-(3-propoxyphenyl)ethyl]pyridine;3-[2-(3-propoxyphenyl)ethyl]pyridine;2-[2-(3-propoxyphenyl)ethyl]thiophene;6-(3-propoxyphenyl)hexan-1-ol
PubChem CID158632096
Molecular FormulaC147H218N2O14S
Molecular Weight2269.43 g/mol
Exact Mass2267.61
IUPAC Name1-(3-cyclopentylpropyl)-3-propoxybenzene;3-ethyl-1-(3-propoxyphenyl)pentan-3-ol;4-methyl-3-propan-2-yl-1-(3-propoxyphenyl)pentan-3-ol;2-methyl-4-(3-propoxyphenyl)butan-2-ol;5-[2-(3-propoxyphenyl)ethyl]nonan-5-ol;2-[2-(3-propoxyphenyl)ethyl]pyridine;3-[2-(3-propoxyphenyl)ethyl]pyridine;2-[2-(3-propoxyphenyl)ethyl]thiophene;6-(3-propoxyphenyl)hexan-1-ol
SMILESCCCCC(O)(CCCC)CCc1cccc(OCCC)c1.CCCOc1cccc(CCC(C)(C)O)c1.CCCOc1cccc(CCC(O)(C(C)C)C(C)C)c1.CCCOc1cccc(CCC(O)(CC)CC)c1.CCCOc1cccc(CCCC2CCCC2)c1.CCCOc1cccc(CCCCCCO)c1.CCCOc1cccc(CCc2ccccn2)c1.CCCOc1cccc(CCc2cccnc2)c1.CCCOc1cccc(CCc2cccs2)c1
InChIInChI=1S/C20H34O2.C18H30O2.C17H26O.2C16H19NO.C16H26O2.C15H24O2.C15H18OS.C14H22O2/c1-4-7-13-20(21,14-8-5-2)15-12-18-10-9-11-19(17-18)22-16-6-3;1-6-12-20-17-9-7-8-16(13-17)10-11-18(19,14(2)3)15(4)5;1-2-13-18-17-12-6-11-16(14-17)10-5-9-15-7-3-4-8-15;1-2-11-18-16-7-3-5-14(12-16)8-9-15-6-4-10-17-13-15;1-2-12-18-16-8-5-6-14(13-16)9-10-15-7-3-4-11-17-15;1-4-12-18-15-9-7-8-14(13-15)10-11-16(17,5-2)6-3;1-2-12-17-15-10-7-9-14(13-15)8-5-3-4-6-11-16;1-2-10-16-14-6-3-5-13(12-14)8-9-15-7-4-11-17-15;1-4-10-16-13-7-5-6-12(11-13)8-9-14(2,3)15/h9-11,17,21H,4-8,12-16H2,1-3H3;7-9,13-15,19H,6,10-12H2,1-5H3;6,11-12,14-15H,2-5,7-10,13H2,1H3;3-7,10,12-13H,2,8-9,11H2,1H3;3-8,11,13H,2,9-10,12H2,1H3;7-9,13,17H,4-6,10-12H2,1-3H3;7,9-10,13,16H,2-6,8,11-12H2,1H3;3-7,11-12H,2,8-10H2,1H3;5-7,11,15H,4,8-10H2,1-3H3
InChIKeyHZIAHPDYYGYOOT-UHFFFAOYSA-N
XLogP37.30
TPSA210.00 Ų
H-Bond Donors5
H-Bond Acceptors17
Rotatable Bonds68
Heavy Atoms164
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002269.43
LogP ≤ 537.30
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze 1-(3-cyclopentylpropyl)-3-propoxybenzene;3-ethyl-1-(3-propoxyphenyl)pentan-3-ol;4-methyl-3-propan-2-yl-1-(3-propoxyphenyl)pentan-3-ol;2-methyl-4-(3-propoxyphenyl)butan-2-ol;5-[2-(3-propoxyphenyl)ethyl]nonan-5-ol;2-[2-(3-propoxyphenyl)ethyl]pyridine;3-[2-(3-propoxyphenyl)ethyl]pyridine;2-[2-(3-propoxyphenyl)ethyl]thiophene;6-(3-propoxyphenyl)hexan-1-ol with MolForge

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Related Compounds

2-[3-[[4-[1-(2,2,2-Trifluoroethyl)piperidin-4-yl]phenoxy]methyl]thiophen-2-yl]pyridine
CID 118628491
1-Tert-butyl-3-(1,1-difluoroethoxy)benzene;1-tert-butyl-3-(1,1-difluoroethyl)-5-fluorobenzene;1-tert-butyl-3-ethoxybenzene;2-tert-butyl-4-ethoxypyridine;2-tert-butyl-4-methylpyridine;bis(1-tert-butyl-3-propan-2-ylbenzene);1-tert-butyl-3-propan-2-yloxybenzene;1-tert-butyl-3-(trifluoromethyl)benzene;5-(1,1-difluoroethyl)-2-propan-2-yl-1,3-thiazole;1-ethyl-3-propan-2-ylbenzene;methane
CID 158563667
1-Tert-butyl-3-(1,1-difluoroethyl)-5-fluorobenzene;1-tert-butyl-3-ethoxybenzene;2-tert-butyl-4-ethoxypyridine;2-tert-butyl-4-methylpyridine;1-tert-butyl-3-propan-2-ylbenzene;1-tert-butyl-3-propan-2-yloxybenzene;1-tert-butyl-3-(trifluoromethyl)benzene;1-(1,1-difluoroethoxy)-3-propan-2-ylbenzene;5-(1,1-difluoroethyl)-2-propan-2-yl-1,3-thiazole;1,3-di(propan-2-yl)benzene;1-ethyl-3-propan-2-ylbenzene;methane
CID 160030921
2-[2-[4-(4-Thiophen-3-ylphenoxy)piperidin-1-yl]ethyl]pyridine
CID 24732801
[4-[3-(6-Methoxy-3-methylquinolin-4-yl)propyl]-1-(2-thiophen-2-ylsulfanylethyl)piperidin-4-yl]methanol
CID 22469594
4-(4-Methoxyphenyl)-2-(3-methylthiophen-2-yl)-6-pyridin-2-ylpyridine
CID 58234812
4-(4-Methoxyphenyl)-2-pyridin-2-yl-6-thiophen-2-ylpyridine
CID 68341911
[(3R,4R)-4-[3-(6-methoxyquinolin-4-yl)propyl]-1-(2-thiophen-3-ylsulfanylethyl)piperidin-3-yl]methanol
CID 69837951
[(3R,4R)-4-[3-(6-methoxyquinolin-4-yl)propyl]-1-(3-thiophen-3-ylsulfanylpropyl)piperidin-3-yl]methanol
CID 69838218
2-(5-hexylthiophen-2-yl)-5-[4-[(2S)-2-methylbutoxy]phenyl]pyridine
CID 70429081
2-(5-Hexylthiophen-2-yl)-5-[4-(2-methylbutoxy)phenyl]pyridine
CID 70429089
2-[6-[4-[(E)-2-phenyl-1-(4-phenylmethoxyphenyl)but-1-enyl]phenoxy]-1-[6-[4-[(E)-2-phenyl-1-(4-phenylmethoxyphenyl)but-1-enyl]phenoxy]-1-pyridin-2-ylhexyl]sulfanylhexyl]pyridine
CID 88340360

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopentylpropyl)-3-propoxybenzene;3-ethyl-1-(3-propoxyphenyl)pentan-3-ol;4-methyl-3-propan-2-yl-1-(3-propoxyphenyl)pentan-3-ol;2-methyl-4-(3-propoxyphenyl)butan-2-ol;5-[2-(3-propoxyphenyl)ethyl]nonan-5-ol;2-[2-(3-propoxyphenyl)ethyl]pyridine;3-[2-(3-propoxyphenyl)ethyl]pyridine;2-[2-(3-propoxyphenyl)ethyl]thiophene;6-(3-propoxyphenyl)hexan-1-ol?
The IUPAC name of 1-(3-cyclopentylpropyl)-3-propoxybenzene;3-ethyl-1-(3-propoxyphenyl)pentan-3-ol;4-methyl-3-propan-2-yl-1-(3-propoxyphenyl)pentan-3-ol;2-methyl-4-(3-propoxyphenyl)butan-2-ol;5-[2-(3-propoxyphenyl)ethyl]nonan-5-ol;2-[2-(3-propoxyphenyl)ethyl]pyridine;3-[2-(3-propoxyphenyl)ethyl]pyridine;2-[2-(3-propoxyphenyl)ethyl]thiophene;6-(3-propoxyphenyl)hexan-1-ol (CID 158632096) is 1-(3-cyclopentylpropyl)-3-propoxybenzene;3-ethyl-1-(3-propoxyphenyl)pentan-3-ol;4-methyl-3-propan-2-yl-1-(3-propoxyphenyl)pentan-3-ol;2-methyl-4-(3-propoxyphenyl)butan-2-ol;5-[2-(3-propoxyphenyl)ethyl]nonan-5-ol;2-[2-(3-propoxyphenyl)ethyl]pyridine;3-[2-(3-propoxyphenyl)ethyl]pyridine;2-[2-(3-propoxyphenyl)ethyl]thiophene;6-(3-propoxyphenyl)hexan-1-ol.
What is the SMILES notation for 1-(3-cyclopentylpropyl)-3-propoxybenzene;3-ethyl-1-(3-propoxyphenyl)pentan-3-ol;4-methyl-3-propan-2-yl-1-(3-propoxyphenyl)pentan-3-ol;2-methyl-4-(3-propoxyphenyl)butan-2-ol;5-[2-(3-propoxyphenyl)ethyl]nonan-5-ol;2-[2-(3-propoxyphenyl)ethyl]pyridine;3-[2-(3-propoxyphenyl)ethyl]pyridine;2-[2-(3-propoxyphenyl)ethyl]thiophene;6-(3-propoxyphenyl)hexan-1-ol?
The canonical SMILES for 1-(3-cyclopentylpropyl)-3-propoxybenzene;3-ethyl-1-(3-propoxyphenyl)pentan-3-ol;4-methyl-3-propan-2-yl-1-(3-propoxyphenyl)pentan-3-ol;2-methyl-4-(3-propoxyphenyl)butan-2-ol;5-[2-(3-propoxyphenyl)ethyl]nonan-5-ol;2-[2-(3-propoxyphenyl)ethyl]pyridine;3-[2-(3-propoxyphenyl)ethyl]pyridine;2-[2-(3-propoxyphenyl)ethyl]thiophene;6-(3-propoxyphenyl)hexan-1-ol is CCCCC(O)(CCCC)CCc1cccc(OCCC)c1.CCCOc1cccc(CCC(C)(C)O)c1.CCCOc1cccc(CCC(O)(C(C)C)C(C)C)c1.CCCOc1cccc(CCC(O)(CC)CC)c1.CCCOc1cccc(CCCC2CCCC2)c1.CCCOc1cccc(CCCCCCO)c1.CCCOc1cccc(CCc2ccccn2)c1.CCCOc1cccc(CCc2cccnc2)c1.CCCOc1cccc(CCc2cccs2)c1.
What is the InChIKey of 1-(3-cyclopentylpropyl)-3-propoxybenzene;3-ethyl-1-(3-propoxyphenyl)pentan-3-ol;4-methyl-3-propan-2-yl-1-(3-propoxyphenyl)pentan-3-ol;2-methyl-4-(3-propoxyphenyl)butan-2-ol;5-[2-(3-propoxyphenyl)ethyl]nonan-5-ol;2-[2-(3-propoxyphenyl)ethyl]pyridine;3-[2-(3-propoxyphenyl)ethyl]pyridine;2-[2-(3-propoxyphenyl)ethyl]thiophene;6-(3-propoxyphenyl)hexan-1-ol?
The InChIKey is HZIAHPDYYGYOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O2.C18H30O2.C17H26O.2C16H19NO.C16H26O2.C15H24O2.C15H18OS.C14H22O2/c1-4-7-13-20(21,14-8-5-2)15-12-18-10-9-11-19(17-18)22-16-6-3;1-6-12-20-17-9-7-8-16(13-17)10-11-18(19,14(2)3)15(4)5;1-2-13-18-17-12-6-11-16(14-17)10-5-9-15-7-3-4-8-15;1-2-11-18-16-7-3-5-14(12-16)8-9-15-6-4-10-17-13-15;1-2-12-18-16-8-5-6-14(13-16)9-10-15-7-3-4-11-17-15;1-4-12-18-15-9-7-8-14(13-15)10-11-16(17,5-2)6-3;1-2-12-17-15-10-7-9-14(13-15)8-5-3-4-6-11-16;1-2-10-16-14-6-3-5-13(12-14)8-9-15-7-4-11-17-15;1-4-10-16-13-7-5-6-12(11-13)8-9-14(2,3)15/h9-11,17,21H,4-8,12-16H2,1-3H3;7-9,13-15,19H,6,10-12H2,1-5H3;6,11-12,14-15H,2-5,7-10,13H2,1H3;3-7,10,12-13H,2,8-9,11H2,1H3;3-8,11,13H,2,9-10,12H2,1H3;7-9,13,17H,4-6,10-12H2,1-3H3;7,9-10,13,16H,2-6,8,11-12H2,1H3;3-7,11-12H,2,8-10H2,1H3;5-7,11,15H,4,8-10H2,1-3H3.
What are the key properties of 1-(3-cyclopentylpropyl)-3-propoxybenzene;3-ethyl-1-(3-propoxyphenyl)pentan-3-ol;4-methyl-3-propan-2-yl-1-(3-propoxyphenyl)pentan-3-ol;2-methyl-4-(3-propoxyphenyl)butan-2-ol;5-[2-(3-propoxyphenyl)ethyl]nonan-5-ol;2-[2-(3-propoxyphenyl)ethyl]pyridine;3-[2-(3-propoxyphenyl)ethyl]pyridine;2-[2-(3-propoxyphenyl)ethyl]thiophene;6-(3-propoxyphenyl)hexan-1-ol?
1-(3-cyclopentylpropyl)-3-propoxybenzene;3-ethyl-1-(3-propoxyphenyl)pentan-3-ol;4-methyl-3-propan-2-yl-1-(3-propoxyphenyl)pentan-3-ol;2-methyl-4-(3-propoxyphenyl)butan-2-ol;5-[2-(3-propoxyphenyl)ethyl]nonan-5-ol;2-[2-(3-propoxyphenyl)ethyl]pyridine;3-[2-(3-propoxyphenyl)ethyl]pyridine;2-[2-(3-propoxyphenyl)ethyl]thiophene;6-(3-propoxyphenyl)hexan-1-ol has a molecular weight of 2269.43 g/mol, XLogP of 37.30, 68 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopentylpropyl)-3-propoxybenzene;3-ethyl-1-(3-propoxyphenyl)pentan-3-ol;4-methyl-3-propan-2-yl-1-(3-propoxyphenyl)pentan-3-ol;2-methyl-4-(3-propoxyphenyl)butan-2-ol;5-[2-(3-propoxyphenyl)ethyl]nonan-5-ol;2-[2-(3-propoxyphenyl)ethyl]pyridine;3-[2-(3-propoxyphenyl)ethyl]pyridine;2-[2-(3-propoxyphenyl)ethyl]thiophene;6-(3-propoxyphenyl)hexan-1-ol is sourced from PubChem (CID 158632096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).