3-hydroxy-4-(2-methylphenyl)-1-phenylpent-4-en-1-one

C18H18O2 — CID 102027328

IUPAC3-hydroxy-4-(2-methylphenyl)-1-phenylpent-4-en-1-one
SMILESC=C(c1ccccc1C)C(O)CC(=O)c1ccccc1
InChIInChI=1S/C18H18O2/c1-13-8-6-7-11-16(13)14(2)17(19)12-18(20)15-9-4-3-5-10-15/h3-11,17,19H,2,12H2,1H3
InChIKeyGHKAVPHKDCQXEM-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.64
Rot. Bonds5

About 3-hydroxy-4-(2-methylphenyl)-1-phenylpent-4-en-1-one

3-hydroxy-4-(2-methylphenyl)-1-phenylpent-4-en-1-one (PubChem CID 102027328) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-hydroxy-4-(2-methylphenyl)-1-phenylpent-4-en-1-one.

Molecular Properties

Compound Name3-hydroxy-4-(2-methylphenyl)-1-phenylpent-4-en-1-one
PubChem CID102027328
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name3-hydroxy-4-(2-methylphenyl)-1-phenylpent-4-en-1-one
SMILESC=C(c1ccccc1C)C(O)CC(=O)c1ccccc1
InChIInChI=1S/C18H18O2/c1-13-8-6-7-11-16(13)14(2)17(19)12-18(20)15-9-4-3-5-10-15/h3-11,17,19H,2,12H2,1H3
InChIKeyGHKAVPHKDCQXEM-UHFFFAOYSA-N
XLogP3.64
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-hydroxy-1-phenylbutan-1-one
CID 5324981
(2-methylphenyl)-phenylmethanone;1-phenylpropan-1-one
CID 175125540
1-(furan-2-yl)-3-hydroxy-4-phenylpent-4-en-1-one
CID 102027325
3-phenacyl-1,5-diphenylpentane-1,5-dione
CID 10547136
(3R,5S)-3,5-dihydroxy-1,7-diphenylheptane-1,7-dione
CID 57327357
3,4-dimethyl-1-phenylpentan-1-one
CID 24976524
1-(2-methylphenyl)ethanone;1-phenylethanone
CID 160893925
3-hydroxy-5-phenylhex-5-en-2-one
CID 129060443
4-chloro-3-hydroxy-1-phenylpentan-1-one
CID 15327489
[(E)-2-benzoyloxy-1,2-bis(2-methylphenyl)ethenyl] benzoate
CID 134263023
ethyl (2R)-2-hydroxy-4-phenylpent-4-enoate
CID 11020407
(3R)-4,4,4-trifluoro-3-hydroxy-1-(2-methylphenyl)butan-1-one
CID 53255011

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-(2-methylphenyl)-1-phenylpent-4-en-1-one?
The IUPAC name of 3-hydroxy-4-(2-methylphenyl)-1-phenylpent-4-en-1-one (CID 102027328) is 3-hydroxy-4-(2-methylphenyl)-1-phenylpent-4-en-1-one.
What is the SMILES notation for 3-hydroxy-4-(2-methylphenyl)-1-phenylpent-4-en-1-one?
The canonical SMILES for 3-hydroxy-4-(2-methylphenyl)-1-phenylpent-4-en-1-one is C=C(c1ccccc1C)C(O)CC(=O)c1ccccc1.
What is the InChIKey of 3-hydroxy-4-(2-methylphenyl)-1-phenylpent-4-en-1-one?
The InChIKey is GHKAVPHKDCQXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c1-13-8-6-7-11-16(13)14(2)17(19)12-18(20)15-9-4-3-5-10-15/h3-11,17,19H,2,12H2,1H3.
What are the key properties of 3-hydroxy-4-(2-methylphenyl)-1-phenylpent-4-en-1-one?
3-hydroxy-4-(2-methylphenyl)-1-phenylpent-4-en-1-one has a molecular weight of 266.34 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-(2-methylphenyl)-1-phenylpent-4-en-1-one is sourced from PubChem (CID 102027328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).