2-cyclohexyl-1-(4-methoxyphenyl)buta-2,3-dien-1-ol

C17H22O2 — CID 141476098

IUPAC2-cyclohexyl-1-(4-methoxyphenyl)buta-2,3-dien-1-ol
SMILESC=C=C(C1CCCCC1)C(O)c1ccc(OC)cc1
InChIInChI=1S/C17H22O2/c1-3-16(13-7-5-4-6-8-13)17(18)14-9-11-15(19-2)12-10-14/h9-13,17-18H,1,4-8H2,2H3
InChIKeyWVPWDLBUIVLIGZ-UHFFFAOYSA-N
MW258.36 g/mol
LogP4.02
Rot. Bonds4

About 2-cyclohexyl-1-(4-methoxyphenyl)buta-2,3-dien-1-ol

2-cyclohexyl-1-(4-methoxyphenyl)buta-2,3-dien-1-ol (PubChem CID 141476098) has the molecular formula C17H22O2 and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-cyclohexyl-1-(4-methoxyphenyl)buta-2,3-dien-1-ol.

Molecular Properties

Compound Name2-cyclohexyl-1-(4-methoxyphenyl)buta-2,3-dien-1-ol
PubChem CID141476098
Molecular FormulaC17H22O2
Molecular Weight258.36 g/mol
Exact Mass258.16
IUPAC Name2-cyclohexyl-1-(4-methoxyphenyl)buta-2,3-dien-1-ol
SMILESC=C=C(C1CCCCC1)C(O)c1ccc(OC)cc1
InChIInChI=1S/C17H22O2/c1-3-16(13-7-5-4-6-8-13)17(18)14-9-11-15(19-2)12-10-14/h9-13,17-18H,1,4-8H2,2H3
InChIKeyWVPWDLBUIVLIGZ-UHFFFAOYSA-N
XLogP4.02
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-cyclohexyl-1-(4-methoxyphenyl)buta-2,3-dien-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-cyclohexylethenyl)-4-methoxybenzene
CID 122206167
(1S,2R)-2-amino-1-cyclohexyl-2-(4-methoxyphenyl)ethanol;hydrochloride
CID 171160552
2-cyclohexyl-2-methoxy-1-(4-methoxyphenyl)ethanol
CID 116756367
2-ethenylidene-1-(4-methoxyphenyl)hexan-1-ol
CID 102480284
(4-methoxyphenyl)-(thian-2-yl)methanol
CID 80622350
(4-methoxyphenyl)-[2-(methylamino)cyclohexyl]methanol
CID 117066669
3-amino-1-cycloheptyl-2-(4-methoxyphenyl)propan-1-ol
CID 65185399
cyclohexyl-[(2R)-2-[(S)-hydroxy-(4-methoxyphenyl)methyl]pyrrolidin-1-yl]methanone
CID 97063459
N-[1-(4-methoxyphenyl)propyl]cyclohexanecarboxamide
CID 18115473
2-hydroxy-2-(4-methoxyphenyl)-N,N-dimethylethanethioamide
CID 10198432
2-[cyclohexyl(methyl)amino]-2-(4-methoxyphenyl)acetonitrile
CID 84757170
3-amino-1-cyclohexyl-2-(4-methoxyphenyl)propan-1-ol;hydrochloride
CID 75106370

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-(4-methoxyphenyl)buta-2,3-dien-1-ol?
The IUPAC name of 2-cyclohexyl-1-(4-methoxyphenyl)buta-2,3-dien-1-ol (CID 141476098) is 2-cyclohexyl-1-(4-methoxyphenyl)buta-2,3-dien-1-ol.
What is the SMILES notation for 2-cyclohexyl-1-(4-methoxyphenyl)buta-2,3-dien-1-ol?
The canonical SMILES for 2-cyclohexyl-1-(4-methoxyphenyl)buta-2,3-dien-1-ol is C=C=C(C1CCCCC1)C(O)c1ccc(OC)cc1.
What is the InChIKey of 2-cyclohexyl-1-(4-methoxyphenyl)buta-2,3-dien-1-ol?
The InChIKey is WVPWDLBUIVLIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O2/c1-3-16(13-7-5-4-6-8-13)17(18)14-9-11-15(19-2)12-10-14/h9-13,17-18H,1,4-8H2,2H3.
What are the key properties of 2-cyclohexyl-1-(4-methoxyphenyl)buta-2,3-dien-1-ol?
2-cyclohexyl-1-(4-methoxyphenyl)buta-2,3-dien-1-ol has a molecular weight of 258.36 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-(4-methoxyphenyl)buta-2,3-dien-1-ol is sourced from PubChem (CID 141476098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).