(1S,2R)-3-phenylcyclohex-3-ene-1,2-diol

C12H14O2 — CID 10535684

IUPAC(1S,2R)-3-phenylcyclohex-3-ene-1,2-diol
SMILESO[C@@H]1C(c2ccccc2)=CCC[C@@H]1O
InChIInChI=1S/C12H14O2/c13-11-8-4-7-10(12(11)14)9-5-2-1-3-6-9/h1-3,5-7,11-14H,4,8H2/t11-,12+/m0/s1
InChIKeyHNPNKDHYYMPQFE-NWDGAFQWSA-N
MW190.24 g/mol
LogP1.59
Rot. Bonds1

About (1S,2R)-3-phenylcyclohex-3-ene-1,2-diol

(1S,2R)-3-phenylcyclohex-3-ene-1,2-diol (PubChem CID 10535684) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is (1S,2R)-3-phenylcyclohex-3-ene-1,2-diol.

Molecular Properties

Compound Name(1S,2R)-3-phenylcyclohex-3-ene-1,2-diol
PubChem CID10535684
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name(1S,2R)-3-phenylcyclohex-3-ene-1,2-diol
SMILESO[C@@H]1C(c2ccccc2)=CCC[C@@H]1O
InChIInChI=1S/C12H14O2/c13-11-8-4-7-10(12(11)14)9-5-2-1-3-6-9/h1-3,5-7,11-14H,4,8H2/t11-,12+/m0/s1
InChIKeyHNPNKDHYYMPQFE-NWDGAFQWSA-N
XLogP1.59
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(6-fluorocyclohexen-1-yl)benzene
CID 102284062
carbanide;(2-phenylcyclohex-2-en-1-yl)methanol;yttrium
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2-phenylcyclohex-2-en-1-ol;2-phenylcyclohex-2-en-1-one
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(1R,5R)-2,6-diphenylbicyclo[3.3.2]deca-2,6-diene
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(6-ethoxycyclohexen-1-yl)benzene
CID 13170090
(1R,5R)-5-azido-2-phenylcyclopent-2-en-1-ol
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(6-diphenylphosphorylcyclohexen-1-yl)benzene
CID 177415752
[6-(methylsulfanylmethyl)cyclohexen-1-yl]benzene
CID 162417225
(3-phenylcyclohex-3-en-1-yl)methanol
CID 15185954
1,2,3,5,6,7-hexahydronaphthalene-1,5-diol
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(1S,2S)-3-chlorocyclohex-3-ene-1,2-diol
CID 67478154

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-3-phenylcyclohex-3-ene-1,2-diol?
The IUPAC name of (1S,2R)-3-phenylcyclohex-3-ene-1,2-diol (CID 10535684) is (1S,2R)-3-phenylcyclohex-3-ene-1,2-diol.
What is the SMILES notation for (1S,2R)-3-phenylcyclohex-3-ene-1,2-diol?
The canonical SMILES for (1S,2R)-3-phenylcyclohex-3-ene-1,2-diol is O[C@@H]1C(c2ccccc2)=CCC[C@@H]1O.
What is the InChIKey of (1S,2R)-3-phenylcyclohex-3-ene-1,2-diol?
The InChIKey is HNPNKDHYYMPQFE-NWDGAFQWSA-N. The full InChI is InChI=1S/C12H14O2/c13-11-8-4-7-10(12(11)14)9-5-2-1-3-6-9/h1-3,5-7,11-14H,4,8H2/t11-,12+/m0/s1.
What are the key properties of (1S,2R)-3-phenylcyclohex-3-ene-1,2-diol?
(1S,2R)-3-phenylcyclohex-3-ene-1,2-diol has a molecular weight of 190.24 g/mol, XLogP of 1.59, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-3-phenylcyclohex-3-ene-1,2-diol is sourced from PubChem (CID 10535684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).