(E)-4-methyl-1,5-diphenylpent-3-en-2-one

C18H18O — CID 12877597

IUPAC(E)-4-methyl-1,5-diphenylpent-3-en-2-one
SMILESC/C(=C\C(=O)Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C18H18O/c1-15(12-16-8-4-2-5-9-16)13-18(19)14-17-10-6-3-7-11-17/h2-11,13H,12,14H2,1H3/b15-13+
InChIKeyMPGVAKQVHLDWKI-FYWRMAATSA-N
MW250.34 g/mol
LogP3.99
Rot. Bonds5

About (E)-4-methyl-1,5-diphenylpent-3-en-2-one

(E)-4-methyl-1,5-diphenylpent-3-en-2-one (PubChem CID 12877597) has the molecular formula C18H18O and a molecular weight of 250.34 g/mol. Its IUPAC name is (E)-4-methyl-1,5-diphenylpent-3-en-2-one.

Molecular Properties

Compound Name(E)-4-methyl-1,5-diphenylpent-3-en-2-one
PubChem CID12877597
Molecular FormulaC18H18O
Molecular Weight250.34 g/mol
Exact Mass250.14
IUPAC Name(E)-4-methyl-1,5-diphenylpent-3-en-2-one
SMILESC/C(=C\C(=O)Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C18H18O/c1-15(12-16-8-4-2-5-9-16)13-18(19)14-17-10-6-3-7-11-17/h2-11,13H,12,14H2,1H3/b15-13+
InChIKeyMPGVAKQVHLDWKI-FYWRMAATSA-N
XLogP3.99
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-4-methyl-1,5-diphenylpent-3-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

(E)-3-methyl-4-phenylbut-2-enoic acid
CID 6369541
3-methyl-4-phenylbut-2-enoic acid
CID 22414
(Z)-4-hydroxy-5-methyl-1-phenylhex-3-en-2-one
CID 5376399
ethyl (Z)-3-methyl-4-phenylbut-2-enoate
CID 14661101
[(Z)-2-methylbut-2-enyl]benzene
CID 59870366
(E)-4-[4-[(E)-4-oxo-1,5-diphenylpent-2-en-2-yl]phenyl]-1,5-diphenylpent-3-en-2-one
CID 155301097
benzene;1-phenylpropan-2-one
CID 21430852
(3-chloro-2-methylprop-2-enyl)benzene
CID 71327936
[(E)-2-methyl-4-[[(E)-3-methyl-4-phenylbut-2-enyl]disulfanyl]but-2-enyl]benzene
CID 11233551
(Z)-4-[2-[[(E)-4-oxo-1,5-diphenylpent-2-en-2-yl]amino]ethylamino]-1,5-diphenylpent-3-en-2-one
CID 177397083
azane;(3-fluoro-2-methylprop-2-enyl)benzene
CID 70515624
(2-methyl-3-phenylprop-1-enyl)benzene
CID 15841501

Frequently Asked Questions

What is the IUPAC name of (E)-4-methyl-1,5-diphenylpent-3-en-2-one?
The IUPAC name of (E)-4-methyl-1,5-diphenylpent-3-en-2-one (CID 12877597) is (E)-4-methyl-1,5-diphenylpent-3-en-2-one.
What is the SMILES notation for (E)-4-methyl-1,5-diphenylpent-3-en-2-one?
The canonical SMILES for (E)-4-methyl-1,5-diphenylpent-3-en-2-one is C/C(=C\C(=O)Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (E)-4-methyl-1,5-diphenylpent-3-en-2-one?
The InChIKey is MPGVAKQVHLDWKI-FYWRMAATSA-N. The full InChI is InChI=1S/C18H18O/c1-15(12-16-8-4-2-5-9-16)13-18(19)14-17-10-6-3-7-11-17/h2-11,13H,12,14H2,1H3/b15-13+.
What are the key properties of (E)-4-methyl-1,5-diphenylpent-3-en-2-one?
(E)-4-methyl-1,5-diphenylpent-3-en-2-one has a molecular weight of 250.34 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-methyl-1,5-diphenylpent-3-en-2-one is sourced from PubChem (CID 12877597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).