(1S,2R,6R)-2-(2-hydroxyethyl)-6-phenylcyclohex-3-en-1-ol

C14H18O2 — CID 139120470

IUPAC(1S,2R,6R)-2-(2-hydroxyethyl)-6-phenylcyclohex-3-en-1-ol
SMILESOCC[C@@H]1C=CC[C@H](c2ccccc2)[C@H]1O
InChIInChI=1S/C14H18O2/c15-10-9-12-7-4-8-13(14(12)16)11-5-2-1-3-6-11/h1-7,12-16H,8-10H2/t12-,13+,14-/m0/s1
InChIKeyHDUXBNNERKBATL-MJBXVCDLSA-N
MW218.30 g/mol
LogP2.09
Rot. Bonds3

About (1S,2R,6R)-2-(2-hydroxyethyl)-6-phenylcyclohex-3-en-1-ol

(1S,2R,6R)-2-(2-hydroxyethyl)-6-phenylcyclohex-3-en-1-ol (PubChem CID 139120470) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is (1S,2R,6R)-2-(2-hydroxyethyl)-6-phenylcyclohex-3-en-1-ol.

Molecular Properties

Compound Name(1S,2R,6R)-2-(2-hydroxyethyl)-6-phenylcyclohex-3-en-1-ol
PubChem CID139120470
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name(1S,2R,6R)-2-(2-hydroxyethyl)-6-phenylcyclohex-3-en-1-ol
SMILESOCC[C@@H]1C=CC[C@H](c2ccccc2)[C@H]1O
InChIInChI=1S/C14H18O2/c15-10-9-12-7-4-8-13(14(12)16)11-5-2-1-3-6-11/h1-7,12-16H,8-10H2/t12-,13+,14-/m0/s1
InChIKeyHDUXBNNERKBATL-MJBXVCDLSA-N
XLogP2.09
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S,5S)-2-(2-hydroxyethyl)-5-phenylcyclohex-3-en-1-ol
CID 134980819
(2-methylcyclopent-3-en-1-yl)benzene
CID 85085291
(1R,2R,3S,6S)-3,6-diphenylcyclohexane-1,2-diol
CID 124792855
(1R,2R,3R,6S)-3,6-diphenylcyclohexane-1,2-diol
CID 98598015
2-(3-phenylcyclobutyl)ethanol
CID 132580222
(2R,3S,4S)-2-(hydroxymethyl)-4-phenyloxolan-3-ol
CID 130883145
(1R,2S,5R)-5-(2-hydroxyethyl)cyclopent-3-ene-1,2-diol
CID 10654329
[(1S,4S,6R)-4-methyl-6-phenylcyclohex-2-en-1-yl]methanol
CID 134992423
[(1S,2S)-2-phenylcyclobutyl]methanol
CID 99991987
(3S,4R)-4-phenylpyrrolidin-3-ol
CID 25067300
cis-(1S,6S)-1-(2-hydroxyethyl)-6-phenylcyclohexane-1,2-diol
CID 10561805
2-(3-hydroxypropyl)-4-phenylcyclohexan-1-ol
CID 79422596

Frequently Asked Questions

What is the IUPAC name of (1S,2R,6R)-2-(2-hydroxyethyl)-6-phenylcyclohex-3-en-1-ol?
The IUPAC name of (1S,2R,6R)-2-(2-hydroxyethyl)-6-phenylcyclohex-3-en-1-ol (CID 139120470) is (1S,2R,6R)-2-(2-hydroxyethyl)-6-phenylcyclohex-3-en-1-ol.
What is the SMILES notation for (1S,2R,6R)-2-(2-hydroxyethyl)-6-phenylcyclohex-3-en-1-ol?
The canonical SMILES for (1S,2R,6R)-2-(2-hydroxyethyl)-6-phenylcyclohex-3-en-1-ol is OCC[C@@H]1C=CC[C@H](c2ccccc2)[C@H]1O.
What is the InChIKey of (1S,2R,6R)-2-(2-hydroxyethyl)-6-phenylcyclohex-3-en-1-ol?
The InChIKey is HDUXBNNERKBATL-MJBXVCDLSA-N. The full InChI is InChI=1S/C14H18O2/c15-10-9-12-7-4-8-13(14(12)16)11-5-2-1-3-6-11/h1-7,12-16H,8-10H2/t12-,13+,14-/m0/s1.
What are the key properties of (1S,2R,6R)-2-(2-hydroxyethyl)-6-phenylcyclohex-3-en-1-ol?
(1S,2R,6R)-2-(2-hydroxyethyl)-6-phenylcyclohex-3-en-1-ol has a molecular weight of 218.30 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,6R)-2-(2-hydroxyethyl)-6-phenylcyclohex-3-en-1-ol is sourced from PubChem (CID 139120470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).