3-hydroxy-5-phenylhex-5-en-2-one

C12H14O2 — CID 129060443

IUPAC3-hydroxy-5-phenylhex-5-en-2-one
SMILESC=C(CC(O)C(C)=O)c1ccccc1
InChIInChI=1S/C12H14O2/c1-9(8-12(14)10(2)13)11-6-4-3-5-7-11/h3-7,12,14H,1,8H2,2H3
InChIKeyRRQJSXGMAQCDNC-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.04
Rot. Bonds4

About 3-hydroxy-5-phenylhex-5-en-2-one

3-hydroxy-5-phenylhex-5-en-2-one (PubChem CID 129060443) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 3-hydroxy-5-phenylhex-5-en-2-one.

Molecular Properties

Compound Name3-hydroxy-5-phenylhex-5-en-2-one
PubChem CID129060443
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name3-hydroxy-5-phenylhex-5-en-2-one
SMILESC=C(CC(O)C(C)=O)c1ccccc1
InChIInChI=1S/C12H14O2/c1-9(8-12(14)10(2)13)11-6-4-3-5-7-11/h3-7,12,14H,1,8H2,2H3
InChIKeyRRQJSXGMAQCDNC-UHFFFAOYSA-N
XLogP2.04
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-hydroxy-5-phenylhex-5-en-2-one 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

ethyl (2R)-2-hydroxy-4-phenylpent-4-enoate
CID 11020407
5-phenyl-3-sulfanylhex-5-en-2-one
CID 129060444
propan-2-yl (2R)-2-hydroxy-4-phenylpent-4-enoate
CID 102028913
butyl 2-hydroxy-4-phenylpent-4-enoate
CID 15878269
2-hydroxy-4-phenylpent-4-enal
CID 134964349
(1R)-1,3-diphenylbut-3-en-1-ol
CID 101158023
(2R)-2-methyl-4-phenylpent-4-en-1-ol
CID 10535285
ethyl 2-fluoro-4-phenylpent-4-enoate
CID 166658649
triethyl 4-phenylpent-4-ene-1,1,2-tricarboxylate
CID 162400604
3-phenylbut-3-enoic acid
CID 10702134
1-amino-3-phenylbut-3-ene-1-thiol
CID 155217883
3-methyl-4-phenylpent-4-en-2-one
CID 130028619

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-5-phenylhex-5-en-2-one?
The IUPAC name of 3-hydroxy-5-phenylhex-5-en-2-one (CID 129060443) is 3-hydroxy-5-phenylhex-5-en-2-one.
What is the SMILES notation for 3-hydroxy-5-phenylhex-5-en-2-one?
The canonical SMILES for 3-hydroxy-5-phenylhex-5-en-2-one is C=C(CC(O)C(C)=O)c1ccccc1.
What is the InChIKey of 3-hydroxy-5-phenylhex-5-en-2-one?
The InChIKey is RRQJSXGMAQCDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-9(8-12(14)10(2)13)11-6-4-3-5-7-11/h3-7,12,14H,1,8H2,2H3.
What are the key properties of 3-hydroxy-5-phenylhex-5-en-2-one?
3-hydroxy-5-phenylhex-5-en-2-one has a molecular weight of 190.24 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-5-phenylhex-5-en-2-one is sourced from PubChem (CID 129060443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).