1-(4-phenylcyclohexylidene)propan-2-ol

C15H20O — CID 103971296

IUPAC1-(4-phenylcyclohexylidene)propan-2-ol
SMILESCC(O)C=C1CCC(c2ccccc2)CC1
InChIInChI=1S/C15H20O/c1-12(16)11-13-7-9-15(10-8-13)14-5-3-2-4-6-14/h2-6,11-12,15-16H,7-10H2,1H3/b13-11-
InChIKeyAVCUJMWDQQVVDR-QBFSEMIESA-N
MW216.32 g/mol
LogP3.65
Rot. Bonds2

About 1-(4-phenylcyclohexylidene)propan-2-ol

1-(4-phenylcyclohexylidene)propan-2-ol (PubChem CID 103971296) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is 1-(4-phenylcyclohexylidene)propan-2-ol.

Molecular Properties

Compound Name1-(4-phenylcyclohexylidene)propan-2-ol
PubChem CID103971296
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name1-(4-phenylcyclohexylidene)propan-2-ol
SMILESCC(O)C=C1CCC(c2ccccc2)CC1
InChIInChI=1S/C15H20O/c1-12(16)11-13-7-9-15(10-8-13)14-5-3-2-4-6-14/h2-6,11-12,15-16H,7-10H2,1H3/b13-11-
InChIKeyAVCUJMWDQQVVDR-QBFSEMIESA-N
XLogP3.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 53.65
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

benzene;cyclopropylbenzene
CID 144638417
ethane;methanol;4-phenylcyclohexan-1-one
CID 91076562
[(3Z)-3-benzylidenecyclopentyl]benzene
CID 15808298
3-methyl-1-[(4-phenylcyclohexyl)amino]butan-2-ol
CID 115720405
1-(4-phenylcyclohexyl)propan-1-ol
CID 79298155
cyclohexylbenzene;hydrogen peroxide;hydrate
CID 174910153
cyclopentylbenzene;iron
CID 158512704
(Z)-2-[(4-phenylcyclohexylidene)methyl]-3-[(E)-2-phenylethenyl]but-2-ene-1,4-diol
CID 11325875
2,4-bis(4-phenylpiperidin-1-yl)pentan-3-one
CID 174394805
5-phenyloxocane-2,8-dione
CID 83888033
(2S)-2-amino-3-methyl-1-(4-phenylpiperidin-1-yl)butan-1-one
CID 61165041
(2R)-2-[(4-phenylcyclohexyl)methylamino]propanoic acid
CID 122038120

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylcyclohexylidene)propan-2-ol?
The IUPAC name of 1-(4-phenylcyclohexylidene)propan-2-ol (CID 103971296) is 1-(4-phenylcyclohexylidene)propan-2-ol.
What is the SMILES notation for 1-(4-phenylcyclohexylidene)propan-2-ol?
The canonical SMILES for 1-(4-phenylcyclohexylidene)propan-2-ol is CC(O)C=C1CCC(c2ccccc2)CC1.
What is the InChIKey of 1-(4-phenylcyclohexylidene)propan-2-ol?
The InChIKey is AVCUJMWDQQVVDR-QBFSEMIESA-N. The full InChI is InChI=1S/C15H20O/c1-12(16)11-13-7-9-15(10-8-13)14-5-3-2-4-6-14/h2-6,11-12,15-16H,7-10H2,1H3/b13-11-.
What are the key properties of 1-(4-phenylcyclohexylidene)propan-2-ol?
1-(4-phenylcyclohexylidene)propan-2-ol has a molecular weight of 216.32 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylcyclohexylidene)propan-2-ol is sourced from PubChem (CID 103971296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).