(R)-[(1S,5R)-5-methylcyclohex-2-en-1-yl]-phenylmethanol

C14H18O — CID 10608189

IUPAC(R)-[(1S,5R)-5-methylcyclohex-2-en-1-yl]-phenylmethanol
SMILESC[C@@H]1CC=C[C@@H]([C@@H](O)c2ccccc2)C1
InChIInChI=1S/C14H18O/c1-11-6-5-9-13(10-11)14(15)12-7-3-2-4-8-12/h2-5,7-9,11,13-15H,6,10H2,1H3/t11-,13-,14+/m1/s1
InChIKeyMXDSXOJWMQPWLX-BNOWGMLFSA-N
MW202.30 g/mol
LogP3.32
Rot. Bonds2

About (R)-[(1S,5R)-5-methylcyclohex-2-en-1-yl]-phenylmethanol

(R)-[(1S,5R)-5-methylcyclohex-2-en-1-yl]-phenylmethanol (PubChem CID 10608189) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is (R)-[(1S,5R)-5-methylcyclohex-2-en-1-yl]-phenylmethanol.

Molecular Properties

Compound Name(R)-[(1S,5R)-5-methylcyclohex-2-en-1-yl]-phenylmethanol
PubChem CID10608189
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name(R)-[(1S,5R)-5-methylcyclohex-2-en-1-yl]-phenylmethanol
SMILESC[C@@H]1CC=C[C@@H]([C@@H](O)c2ccccc2)C1
InChIInChI=1S/C14H18O/c1-11-6-5-9-13(10-11)14(15)12-7-3-2-4-8-12/h2-5,7-9,11,13-15H,6,10H2,1H3/t11-,13-,14+/m1/s1
InChIKeyMXDSXOJWMQPWLX-BNOWGMLFSA-N
XLogP3.32
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 ≤ 53.32
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

(S)-[(1S)-cyclopent-2-en-1-yl]-phenylmethanol
CID 129405457
(3,5-dimethylcyclohexyl)-phenylmethanol
CID 64730076
[(2S,4R)-4-methylpyrrolidin-2-yl]-phenylmethanol
CID 101194740
(S)-[(1S)-cyclohex-2-en-1-yl]-phenylmethanol
CID 7057143
(S)-cyclohexyl-[(1R,5R)-5-methylcyclohex-2-en-1-yl]methanol
CID 101050160
2-[hydroxy(phenyl)methyl]-4-methylcyclopentane-1-carboxylic acid
CID 114392534
2,3-dihydrothiophen-3-yl(phenyl)methanol
CID 89252636
(3,4-dimethylcyclohexyl)-phenylmethanol
CID 64740008
(1,4-dimethylpiperidin-2-yl)-phenylmethanol
CID 68502883
1-(5-methylcyclohex-3-en-1-yl)ethylbenzene
CID 123861513
cis-(1S,2R)-2-[hydroxy(phenyl)methyl]cyclopropane-1-carboxylic acid
CID 165353427
cis-(1R,2S)-2-[hydroxy(phenyl)methyl]cyclopropane-1-carboxylic acid
CID 130979849

Frequently Asked Questions

What is the IUPAC name of (R)-[(1S,5R)-5-methylcyclohex-2-en-1-yl]-phenylmethanol?
The IUPAC name of (R)-[(1S,5R)-5-methylcyclohex-2-en-1-yl]-phenylmethanol (CID 10608189) is (R)-[(1S,5R)-5-methylcyclohex-2-en-1-yl]-phenylmethanol.
What is the SMILES notation for (R)-[(1S,5R)-5-methylcyclohex-2-en-1-yl]-phenylmethanol?
The canonical SMILES for (R)-[(1S,5R)-5-methylcyclohex-2-en-1-yl]-phenylmethanol is C[C@@H]1CC=C[C@@H]([C@@H](O)c2ccccc2)C1.
What is the InChIKey of (R)-[(1S,5R)-5-methylcyclohex-2-en-1-yl]-phenylmethanol?
The InChIKey is MXDSXOJWMQPWLX-BNOWGMLFSA-N. The full InChI is InChI=1S/C14H18O/c1-11-6-5-9-13(10-11)14(15)12-7-3-2-4-8-12/h2-5,7-9,11,13-15H,6,10H2,1H3/t11-,13-,14+/m1/s1.
What are the key properties of (R)-[(1S,5R)-5-methylcyclohex-2-en-1-yl]-phenylmethanol?
(R)-[(1S,5R)-5-methylcyclohex-2-en-1-yl]-phenylmethanol has a molecular weight of 202.30 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[(1S,5R)-5-methylcyclohex-2-en-1-yl]-phenylmethanol is sourced from PubChem (CID 10608189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).