[(1S,4S,6R)-4-methyl-6-phenylcyclohex-2-en-1-yl]methanol

C14H18O — CID 134992423

IUPAC[(1S,4S,6R)-4-methyl-6-phenylcyclohex-2-en-1-yl]methanol
SMILESC[C@@H]1C=C[C@H](CO)[C@H](c2ccccc2)C1
InChIInChI=1S/C14H18O/c1-11-7-8-13(10-15)14(9-11)12-5-3-2-4-6-12/h2-8,11,13-15H,9-10H2,1H3/t11-,13-,14+/m1/s1
InChIKeyGCUBYLRTFCSZCG-BNOWGMLFSA-N
MW202.30 g/mol
LogP2.97
Rot. Bonds2

About [(1S,4S,6R)-4-methyl-6-phenylcyclohex-2-en-1-yl]methanol

[(1S,4S,6R)-4-methyl-6-phenylcyclohex-2-en-1-yl]methanol (PubChem CID 134992423) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is [(1S,4S,6R)-4-methyl-6-phenylcyclohex-2-en-1-yl]methanol.

Molecular Properties

Compound Name[(1S,4S,6R)-4-methyl-6-phenylcyclohex-2-en-1-yl]methanol
PubChem CID134992423
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name[(1S,4S,6R)-4-methyl-6-phenylcyclohex-2-en-1-yl]methanol
SMILESC[C@@H]1C=C[C@H](CO)[C@H](c2ccccc2)C1
InChIInChI=1S/C14H18O/c1-11-7-8-13(10-15)14(9-11)12-5-3-2-4-6-12/h2-8,11,13-15H,9-10H2,1H3/t11-,13-,14+/m1/s1
InChIKeyGCUBYLRTFCSZCG-BNOWGMLFSA-N
XLogP2.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.97
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

ethane;[(1R,2R)-2-phenylcyclopropyl]methanol;zinc
CID 177478174
[(1S,2S)-2-[(1R,2S)-2-phenylcyclopropyl]cyclopropyl]methanol
CID 11137881
[(1S,2S)-2-phenylcyclobutyl]methanol
CID 99991987
ethane;2-phenylcyclopropane-1-carboxylic acid
CID 91570346
[(2R,3S)-3-phenylpyrrolidin-2-yl]methanol
CID 98008478
[(1R,3S)-2,3-dimethylcyclobutyl]benzene
CID 142373098
cis-(1R,2S)-2-phenylcyclopropane-1-carboxylic acid
CID 778516
2-[(1S,2S)-2-phenylcyclopropyl]propan-1-ol
CID 130128748
[(1R,5S)-5-methylcyclohex-3-en-1-yl]benzene
CID 122384341
(2-methylcyclopent-3-en-1-yl)benzene
CID 85085291
(2S,5S)-2-(2-hydroxyethyl)-5-phenylcyclohex-3-en-1-ol
CID 134980819
(2-phenyl-6-bicyclo[3.2.1]octanyl)methanol
CID 123628380

Frequently Asked Questions

What is the IUPAC name of [(1S,4S,6R)-4-methyl-6-phenylcyclohex-2-en-1-yl]methanol?
The IUPAC name of [(1S,4S,6R)-4-methyl-6-phenylcyclohex-2-en-1-yl]methanol (CID 134992423) is [(1S,4S,6R)-4-methyl-6-phenylcyclohex-2-en-1-yl]methanol.
What is the SMILES notation for [(1S,4S,6R)-4-methyl-6-phenylcyclohex-2-en-1-yl]methanol?
The canonical SMILES for [(1S,4S,6R)-4-methyl-6-phenylcyclohex-2-en-1-yl]methanol is C[C@@H]1C=C[C@H](CO)[C@H](c2ccccc2)C1.
What is the InChIKey of [(1S,4S,6R)-4-methyl-6-phenylcyclohex-2-en-1-yl]methanol?
The InChIKey is GCUBYLRTFCSZCG-BNOWGMLFSA-N. The full InChI is InChI=1S/C14H18O/c1-11-7-8-13(10-15)14(9-11)12-5-3-2-4-6-12/h2-8,11,13-15H,9-10H2,1H3/t11-,13-,14+/m1/s1.
What are the key properties of [(1S,4S,6R)-4-methyl-6-phenylcyclohex-2-en-1-yl]methanol?
[(1S,4S,6R)-4-methyl-6-phenylcyclohex-2-en-1-yl]methanol has a molecular weight of 202.30 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,4S,6R)-4-methyl-6-phenylcyclohex-2-en-1-yl]methanol is sourced from PubChem (CID 134992423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).