4-(2-methyl-3-phenylprop-1-enyl)cyclohexan-1-ol

C16H22O — CID 54210438

IUPAC4-(2-methyl-3-phenylprop-1-enyl)cyclohexan-1-ol
SMILESCC(=CC1CCC(O)CC1)Cc1ccccc1
InChIInChI=1S/C16H22O/c1-13(11-14-5-3-2-4-6-14)12-15-7-9-16(17)10-8-15/h2-6,12,15-17H,7-11H2,1H3
InChIKeyPLIDRYSZSHRVBX-UHFFFAOYSA-N
MW230.35 g/mol
LogP3.73
Rot. Bonds3

About 4-(2-methyl-3-phenylprop-1-enyl)cyclohexan-1-ol

4-(2-methyl-3-phenylprop-1-enyl)cyclohexan-1-ol (PubChem CID 54210438) has the molecular formula C16H22O and a molecular weight of 230.35 g/mol. Its IUPAC name is 4-(2-methyl-3-phenylprop-1-enyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(2-methyl-3-phenylprop-1-enyl)cyclohexan-1-ol
PubChem CID54210438
Molecular FormulaC16H22O
Molecular Weight230.35 g/mol
Exact Mass230.17
IUPAC Name4-(2-methyl-3-phenylprop-1-enyl)cyclohexan-1-ol
SMILESCC(=CC1CCC(O)CC1)Cc1ccccc1
InChIInChI=1S/C16H22O/c1-13(11-14-5-3-2-4-6-14)12-15-7-9-16(17)10-8-15/h2-6,12,15-17H,7-11H2,1H3
InChIKeyPLIDRYSZSHRVBX-UHFFFAOYSA-N
XLogP3.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(Z)-2-methylbut-2-enyl]benzene
CID 59870366
5-[(E)-2-methyl-3-phenylprop-1-enyl]oxolan-2-one
CID 102259695
(3-chloro-2-methylprop-2-enyl)benzene
CID 71327936
(2-methyl-3-phenylprop-1-enyl)benzene
CID 15841501
azane;(3-fluoro-2-methylprop-2-enyl)benzene
CID 70515624
3-methyl-4-phenylbut-2-enoic acid
CID 22414
(E)-3-methyl-4-phenylbut-2-enoic acid
CID 6369541
(E)-4-methyl-1,5-diphenylpent-3-en-2-one
CID 12877597
[(E)-2-methyl-4-[[(E)-3-methyl-4-phenylbut-2-enyl]disulfanyl]but-2-enyl]benzene
CID 11233551
(2E,6E,10E)-3,7,11-trimethyl-12-phenyldodeca-2,6,10-trien-1-ol
CID 53310712
(2E,6E)-3,7-dimethyl-8-phenylocta-2,6-dien-1-ol
CID 15380841
1-[(E)-1-cyclohexyl-3-phenylprop-1-en-2-yl]-4-methoxybenzene
CID 11120345

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-3-phenylprop-1-enyl)cyclohexan-1-ol?
The IUPAC name of 4-(2-methyl-3-phenylprop-1-enyl)cyclohexan-1-ol (CID 54210438) is 4-(2-methyl-3-phenylprop-1-enyl)cyclohexan-1-ol.
What is the SMILES notation for 4-(2-methyl-3-phenylprop-1-enyl)cyclohexan-1-ol?
The canonical SMILES for 4-(2-methyl-3-phenylprop-1-enyl)cyclohexan-1-ol is CC(=CC1CCC(O)CC1)Cc1ccccc1.
What is the InChIKey of 4-(2-methyl-3-phenylprop-1-enyl)cyclohexan-1-ol?
The InChIKey is PLIDRYSZSHRVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O/c1-13(11-14-5-3-2-4-6-14)12-15-7-9-16(17)10-8-15/h2-6,12,15-17H,7-11H2,1H3.
What are the key properties of 4-(2-methyl-3-phenylprop-1-enyl)cyclohexan-1-ol?
4-(2-methyl-3-phenylprop-1-enyl)cyclohexan-1-ol has a molecular weight of 230.35 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-3-phenylprop-1-enyl)cyclohexan-1-ol is sourced from PubChem (CID 54210438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).