3-(3-hydroxyphenyl)cyclohex-2-en-1-one

C12H12O2 — CID 24747222

IUPAC3-(3-hydroxyphenyl)cyclohex-2-en-1-one
SMILESO=C1C=C(c2cccc(O)c2)CCC1
InChIInChI=1S/C12H12O2/c13-11-5-1-3-9(7-11)10-4-2-6-12(14)8-10/h1,3,5,7-8,13H,2,4,6H2
InChIKeyGDLILFYGISDSBR-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.53
Rot. Bonds1

About 3-(3-hydroxyphenyl)cyclohex-2-en-1-one

3-(3-hydroxyphenyl)cyclohex-2-en-1-one (PubChem CID 24747222) has the molecular formula C12H12O2 and a molecular weight of 188.23 g/mol. Its IUPAC name is 3-(3-hydroxyphenyl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name3-(3-hydroxyphenyl)cyclohex-2-en-1-one
PubChem CID24747222
Molecular FormulaC12H12O2
Molecular Weight188.23 g/mol
Exact Mass188.08
IUPAC Name3-(3-hydroxyphenyl)cyclohex-2-en-1-one
SMILESO=C1C=C(c2cccc(O)c2)CCC1
InChIInChI=1S/C12H12O2/c13-11-5-1-3-9(7-11)10-4-2-6-12(14)8-10/h1,3,5,7-8,13H,2,4,6H2
InChIKeyGDLILFYGISDSBR-UHFFFAOYSA-N
XLogP2.53
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxyphenyl)cyclohex-2-en-1-one?
The IUPAC name of 3-(3-hydroxyphenyl)cyclohex-2-en-1-one (CID 24747222) is 3-(3-hydroxyphenyl)cyclohex-2-en-1-one.
What is the SMILES notation for 3-(3-hydroxyphenyl)cyclohex-2-en-1-one?
The canonical SMILES for 3-(3-hydroxyphenyl)cyclohex-2-en-1-one is O=C1C=C(c2cccc(O)c2)CCC1.
What is the InChIKey of 3-(3-hydroxyphenyl)cyclohex-2-en-1-one?
The InChIKey is GDLILFYGISDSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O2/c13-11-5-1-3-9(7-11)10-4-2-6-12(14)8-10/h1,3,5,7-8,13H,2,4,6H2.
What are the key properties of 3-(3-hydroxyphenyl)cyclohex-2-en-1-one?
3-(3-hydroxyphenyl)cyclohex-2-en-1-one has a molecular weight of 188.23 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxyphenyl)cyclohex-2-en-1-one is sourced from PubChem (CID 24747222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).