2-phenylcyclohex-2-en-1-ol;2-phenylcyclohex-2-en-1-one

C24H26O2 — CID 158536601

IUPAC2-phenylcyclohex-2-en-1-ol;2-phenylcyclohex-2-en-1-one
SMILESO=C1CCCC=C1c1ccccc1.OC1CCCC=C1c1ccccc1
InChIInChI=1S/C12H14O.C12H12O/c2*13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-3,6-8,12-13H,4-5,9H2;1-3,6-8H,4-5,9H2
InChIKeyHOACMEXXASNKKE-UHFFFAOYSA-N
MW346.47 g/mol
LogP5.44
Rot. Bonds2

About 2-phenylcyclohex-2-en-1-ol;2-phenylcyclohex-2-en-1-one

2-phenylcyclohex-2-en-1-ol;2-phenylcyclohex-2-en-1-one (PubChem CID 158536601) has the molecular formula C24H26O2 and a molecular weight of 346.47 g/mol. Its IUPAC name is 2-phenylcyclohex-2-en-1-ol;2-phenylcyclohex-2-en-1-one.

Molecular Properties

Compound Name2-phenylcyclohex-2-en-1-ol;2-phenylcyclohex-2-en-1-one
PubChem CID158536601
Molecular FormulaC24H26O2
Molecular Weight346.47 g/mol
Exact Mass346.19
IUPAC Name2-phenylcyclohex-2-en-1-ol;2-phenylcyclohex-2-en-1-one
SMILESO=C1CCCC=C1c1ccccc1.OC1CCCC=C1c1ccccc1
InChIInChI=1S/C12H14O.C12H12O/c2*13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-3,6-8,12-13H,4-5,9H2;1-3,6-8H,4-5,9H2
InChIKeyHOACMEXXASNKKE-UHFFFAOYSA-N
XLogP5.44
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.47
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromophenyl)cyclohex-2-en-1-one
CID 130518078
(1S,2R)-3-phenylcyclohex-3-ene-1,2-diol
CID 10535684
(6-fluorocyclohexen-1-yl)benzene
CID 102284062
3-phenyl-2-propan-2-ylidenecyclohex-3-en-1-one
CID 10798606
carbanide;(2-phenylcyclohex-2-en-1-yl)methanol;yttrium
CID 159640672
(6-diphenylphosphorylcyclohexen-1-yl)benzene
CID 177415752
(1R)-2-[(S)-phenylsulfinyl]cyclohex-2-en-1-ol
CID 10922113
5-phenyl-8,9-dihydro-7H-benzo[7]annulene
CID 10857019
1-methyl-3-phenyl-1,4,5,6-tetrahydroinden-2-one
CID 102574347
(6-ethoxycyclohexen-1-yl)benzene
CID 13170090
[6-(methylsulfanylmethyl)cyclohexen-1-yl]benzene
CID 162417225
2-phenyl-3a,4,5,6-tetrahydroindene-1,3-dione
CID 171384673

Frequently Asked Questions

What is the IUPAC name of 2-phenylcyclohex-2-en-1-ol;2-phenylcyclohex-2-en-1-one?
The IUPAC name of 2-phenylcyclohex-2-en-1-ol;2-phenylcyclohex-2-en-1-one (CID 158536601) is 2-phenylcyclohex-2-en-1-ol;2-phenylcyclohex-2-en-1-one.
What is the SMILES notation for 2-phenylcyclohex-2-en-1-ol;2-phenylcyclohex-2-en-1-one?
The canonical SMILES for 2-phenylcyclohex-2-en-1-ol;2-phenylcyclohex-2-en-1-one is O=C1CCCC=C1c1ccccc1.OC1CCCC=C1c1ccccc1.
What is the InChIKey of 2-phenylcyclohex-2-en-1-ol;2-phenylcyclohex-2-en-1-one?
The InChIKey is HOACMEXXASNKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O.C12H12O/c2*13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-3,6-8,12-13H,4-5,9H2;1-3,6-8H,4-5,9H2.
What are the key properties of 2-phenylcyclohex-2-en-1-ol;2-phenylcyclohex-2-en-1-one?
2-phenylcyclohex-2-en-1-ol;2-phenylcyclohex-2-en-1-one has a molecular weight of 346.47 g/mol, XLogP of 5.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylcyclohex-2-en-1-ol;2-phenylcyclohex-2-en-1-one is sourced from PubChem (CID 158536601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).