(E)-1-cyclopenta-2,4-dien-1-yl-3-(3-phenylphenyl)prop-2-en-1-one

C20H16O — CID 101270243

IUPAC(E)-1-cyclopenta-2,4-dien-1-yl-3-(3-phenylphenyl)prop-2-en-1-one
SMILESO=C(/C=C/c1cccc(-c2ccccc2)c1)C1C=CC=C1
InChIInChI=1S/C20H16O/c21-20(18-10-4-5-11-18)14-13-16-7-6-12-19(15-16)17-8-2-1-3-9-17/h1-15,18H/b14-13+
InChIKeyQMIAFNUZYSOQNU-BUHFOSPRSA-N
MW272.35 g/mol
LogP4.68
Rot. Bonds4

About (E)-1-cyclopenta-2,4-dien-1-yl-3-(3-phenylphenyl)prop-2-en-1-one

(E)-1-cyclopenta-2,4-dien-1-yl-3-(3-phenylphenyl)prop-2-en-1-one (PubChem CID 101270243) has the molecular formula C20H16O and a molecular weight of 272.35 g/mol. Its IUPAC name is (E)-1-cyclopenta-2,4-dien-1-yl-3-(3-phenylphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-cyclopenta-2,4-dien-1-yl-3-(3-phenylphenyl)prop-2-en-1-one
PubChem CID101270243
Molecular FormulaC20H16O
Molecular Weight272.35 g/mol
Exact Mass272.12
IUPAC Name(E)-1-cyclopenta-2,4-dien-1-yl-3-(3-phenylphenyl)prop-2-en-1-one
SMILESO=C(/C=C/c1cccc(-c2ccccc2)c1)C1C=CC=C1
InChIInChI=1S/C20H16O/c21-20(18-10-4-5-11-18)14-13-16-7-6-12-19(15-16)17-8-2-1-3-9-17/h1-15,18H/b14-13+
InChIKeyQMIAFNUZYSOQNU-BUHFOSPRSA-N
XLogP4.68
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(3-phenylphenyl)prop-2-enoylamino]propanediamide
CID 76867493
3-[3-[3-oxo-3-(4-phenylphenyl)prop-1-enyl]phenyl]-1-(4-phenylphenyl)prop-2-en-1-one
CID 3939138
(E)-3-[3-(3-methylphenyl)phenyl]prop-2-enoic acid
CID 87253241
(E)-3-azulen-2-yl-1-azulen-6-ylprop-2-en-1-one
CID 101376278
(E)-3-[3-(4-fluorophenyl)phenyl]-1-phenylprop-2-en-1-one
CID 137321349
2-methyl-3-(3-phenylphenyl)prop-2-enoic acid
CID 68509720
propyl 3-(3-phenylphenyl)prop-2-enoate
CID 135124125
(E)-N-hydroxy-3-[3-(4-hydroxyphenyl)phenyl]prop-2-enamide;(E)-3-[3-(4-hydroxyphenyl)phenyl]prop-2-enoic acid
CID 159561023
(E)-1-(6-bromo-2-pyridinyl)-3-(3-phenylphenyl)prop-2-en-1-one
CID 156554922
(E)-3-[3-(4-methoxyphenyl)phenyl]prop-2-enoic acid
CID 11161124
N-[N-[3-(3-bromophenyl)prop-2-enoyl]-N'-(diaminomethylideneamino)carbamimidoyl]-3-(3-phenylphenyl)prop-2-enamide
CID 136610527
tert-butyl 3-[3-(3-phenylphenyl)prop-2-enoyl]pyrrolidine-1-carboxylate
CID 175146668

Frequently Asked Questions

What is the IUPAC name of (E)-1-cyclopenta-2,4-dien-1-yl-3-(3-phenylphenyl)prop-2-en-1-one?
The IUPAC name of (E)-1-cyclopenta-2,4-dien-1-yl-3-(3-phenylphenyl)prop-2-en-1-one (CID 101270243) is (E)-1-cyclopenta-2,4-dien-1-yl-3-(3-phenylphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-cyclopenta-2,4-dien-1-yl-3-(3-phenylphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-1-cyclopenta-2,4-dien-1-yl-3-(3-phenylphenyl)prop-2-en-1-one is O=C(/C=C/c1cccc(-c2ccccc2)c1)C1C=CC=C1.
What is the InChIKey of (E)-1-cyclopenta-2,4-dien-1-yl-3-(3-phenylphenyl)prop-2-en-1-one?
The InChIKey is QMIAFNUZYSOQNU-BUHFOSPRSA-N. The full InChI is InChI=1S/C20H16O/c21-20(18-10-4-5-11-18)14-13-16-7-6-12-19(15-16)17-8-2-1-3-9-17/h1-15,18H/b14-13+.
What are the key properties of (E)-1-cyclopenta-2,4-dien-1-yl-3-(3-phenylphenyl)prop-2-en-1-one?
(E)-1-cyclopenta-2,4-dien-1-yl-3-(3-phenylphenyl)prop-2-en-1-one has a molecular weight of 272.35 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-cyclopenta-2,4-dien-1-yl-3-(3-phenylphenyl)prop-2-en-1-one is sourced from PubChem (CID 101270243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).