(1R,2S)-1-methyl-2-phenylcyclohex-4-ene-1,2-diol

C13H16O2 — CID 10987365

IUPAC(1R,2S)-1-methyl-2-phenylcyclohex-4-ene-1,2-diol
SMILESC[C@@]1(O)CC=CC[C@]1(O)c1ccccc1
InChIInChI=1S/C13H16O2/c1-12(14)9-5-6-10-13(12,15)11-7-3-2-4-8-11/h2-8,14-15H,9-10H2,1H3/t12-,13+/m1/s1
InChIKeyGLZLFHDZKPRKNW-OLZOCXBDSA-N
MW204.27 g/mol
LogP1.98
Rot. Bonds1

About (1R,2S)-1-methyl-2-phenylcyclohex-4-ene-1,2-diol

(1R,2S)-1-methyl-2-phenylcyclohex-4-ene-1,2-diol (PubChem CID 10987365) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is (1R,2S)-1-methyl-2-phenylcyclohex-4-ene-1,2-diol.

Molecular Properties

Compound Name(1R,2S)-1-methyl-2-phenylcyclohex-4-ene-1,2-diol
PubChem CID10987365
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name(1R,2S)-1-methyl-2-phenylcyclohex-4-ene-1,2-diol
SMILESC[C@@]1(O)CC=CC[C@]1(O)c1ccccc1
InChIInChI=1S/C13H16O2/c1-12(14)9-5-6-10-13(12,15)11-7-3-2-4-8-11/h2-8,14-15H,9-10H2,1H3/t12-,13+/m1/s1
InChIKeyGLZLFHDZKPRKNW-OLZOCXBDSA-N
XLogP1.98
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R,2S)-1-methyl-2-phenylcyclohex-4-ene-1,2-diol 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

trans-(1R,2R)-1-methyl-2-phenylcyclohexane-1,2-diol
CID 101349551
2,2,3-trimethyl-1-phenylcyclopent-3-en-1-ol
CID 570712
2-(dimethylamino)-2-methyl-1-phenylcyclohexan-1-ol
CID 66606780
2,2-dimethyl-3-phenyloxetan-3-ol
CID 121217401
(4R)-1,3,3-trimethyl-4-phenylpiperidin-4-ol
CID 766368
trans-(1R,2R)-1,2-diphenylcyclohexane-1,2-diol
CID 15915235
1-phenylcyclobut-2-en-1-ol
CID 174635537
(2R,3R)-1,2-dimethyl-2,3-diphenylpyrrolidin-3-ol
CID 125492615
cis-(1R,2S)-4-methylidene-1,2-diphenylcyclopentane-1,2-diol
CID 10967455
(6R)-6-methyl-6-phenyl-2,5-dihydropyran
CID 100966359
(1R,4S)-1,4-diphenylcyclohex-2-ene-1,4-diol
CID 91116879
(4S)-1,3,3-trimethyl-4-phenylpiperidin-1-ium-4-ol
CID 6944225

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-methyl-2-phenylcyclohex-4-ene-1,2-diol?
The IUPAC name of (1R,2S)-1-methyl-2-phenylcyclohex-4-ene-1,2-diol (CID 10987365) is (1R,2S)-1-methyl-2-phenylcyclohex-4-ene-1,2-diol.
What is the SMILES notation for (1R,2S)-1-methyl-2-phenylcyclohex-4-ene-1,2-diol?
The canonical SMILES for (1R,2S)-1-methyl-2-phenylcyclohex-4-ene-1,2-diol is C[C@@]1(O)CC=CC[C@]1(O)c1ccccc1.
What is the InChIKey of (1R,2S)-1-methyl-2-phenylcyclohex-4-ene-1,2-diol?
The InChIKey is GLZLFHDZKPRKNW-OLZOCXBDSA-N. The full InChI is InChI=1S/C13H16O2/c1-12(14)9-5-6-10-13(12,15)11-7-3-2-4-8-11/h2-8,14-15H,9-10H2,1H3/t12-,13+/m1/s1.
What are the key properties of (1R,2S)-1-methyl-2-phenylcyclohex-4-ene-1,2-diol?
(1R,2S)-1-methyl-2-phenylcyclohex-4-ene-1,2-diol has a molecular weight of 204.27 g/mol, XLogP of 1.98, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-methyl-2-phenylcyclohex-4-ene-1,2-diol is sourced from PubChem (CID 10987365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).