(E)-3-[2-(cyclopenten-1-ylmethyl)phenyl]-1-phenylprop-2-en-1-one

C21H20O — CID 54597450

IUPAC(E)-3-[2-(cyclopenten-1-ylmethyl)phenyl]-1-phenylprop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1CC1=CCCC1)c1ccccc1
InChIInChI=1S/C21H20O/c22-21(19-11-2-1-3-12-19)15-14-18-10-6-7-13-20(18)16-17-8-4-5-9-17/h1-3,6-8,10-15H,4-5,9,16H2/b15-14+
InChIKeyHFFNZKBGZDSVLX-CCEZHUSRSA-N
MW288.39 g/mol
LogP5.24
Rot. Bonds5

About (E)-3-[2-(cyclopenten-1-ylmethyl)phenyl]-1-phenylprop-2-en-1-one

(E)-3-[2-(cyclopenten-1-ylmethyl)phenyl]-1-phenylprop-2-en-1-one (PubChem CID 54597450) has the molecular formula C21H20O and a molecular weight of 288.39 g/mol. Its IUPAC name is (E)-3-[2-(cyclopenten-1-ylmethyl)phenyl]-1-phenylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-[2-(cyclopenten-1-ylmethyl)phenyl]-1-phenylprop-2-en-1-one
PubChem CID54597450
Molecular FormulaC21H20O
Molecular Weight288.39 g/mol
Exact Mass288.15
IUPAC Name(E)-3-[2-(cyclopenten-1-ylmethyl)phenyl]-1-phenylprop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1CC1=CCCC1)c1ccccc1
InChIInChI=1S/C21H20O/c22-21(19-11-2-1-3-12-19)15-14-18-10-6-7-13-20(18)16-17-8-4-5-9-17/h1-3,6-8,10-15H,4-5,9,16H2/b15-14+
InChIKeyHFFNZKBGZDSVLX-CCEZHUSRSA-N
XLogP5.24
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.39
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(aminomethyl)phenyl]-1-phenylprop-2-en-1-one
CID 174792715
3-[2-(2-methylbut-2-enyl)phenyl]-1-phenylprop-2-en-1-one
CID 174912534
3-[2-(3,3-diaminoprop-2-enyl)phenyl]-1-phenylprop-2-en-1-one
CID 67928633
(E)-3-(2-benzylphenyl)prop-2-enoic acid
CID 22364524
3-(2-ethenylphenyl)-1-phenylprop-2-en-1-one
CID 68920367
(E)-3-[2-[(2-hydroxyphenyl)methyl]phenyl]prop-2-enoic acid
CID 67513277
(Z)-3-(2-methoxyphenyl)-1-phenylprop-2-en-1-one
CID 25021886
2-[2-[(E)-3-(4-fluorophenyl)-3-oxoprop-1-enyl]phenyl]acetaldehyde
CID 154719442
3-(2,3-dihydroxyphenyl)-1-phenylprop-2-en-1-one;hydrochloride
CID 69039311
[2-(cyclopenten-1-yl)-1-diazoethyl]benzene
CID 12699208
(E)-3-[4-[(E)-2-[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]ethenyl]phenyl]-1-phenylprop-2-en-1-one
CID 102135410
(E)-3-(2-ethylphenyl)prop-2-enoic acid
CID 6198622

Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-(cyclopenten-1-ylmethyl)phenyl]-1-phenylprop-2-en-1-one?
The IUPAC name of (E)-3-[2-(cyclopenten-1-ylmethyl)phenyl]-1-phenylprop-2-en-1-one (CID 54597450) is (E)-3-[2-(cyclopenten-1-ylmethyl)phenyl]-1-phenylprop-2-en-1-one.
What is the SMILES notation for (E)-3-[2-(cyclopenten-1-ylmethyl)phenyl]-1-phenylprop-2-en-1-one?
The canonical SMILES for (E)-3-[2-(cyclopenten-1-ylmethyl)phenyl]-1-phenylprop-2-en-1-one is O=C(/C=C/c1ccccc1CC1=CCCC1)c1ccccc1.
What is the InChIKey of (E)-3-[2-(cyclopenten-1-ylmethyl)phenyl]-1-phenylprop-2-en-1-one?
The InChIKey is HFFNZKBGZDSVLX-CCEZHUSRSA-N. The full InChI is InChI=1S/C21H20O/c22-21(19-11-2-1-3-12-19)15-14-18-10-6-7-13-20(18)16-17-8-4-5-9-17/h1-3,6-8,10-15H,4-5,9,16H2/b15-14+.
What are the key properties of (E)-3-[2-(cyclopenten-1-ylmethyl)phenyl]-1-phenylprop-2-en-1-one?
(E)-3-[2-(cyclopenten-1-ylmethyl)phenyl]-1-phenylprop-2-en-1-one has a molecular weight of 288.39 g/mol, XLogP of 5.24, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-(cyclopenten-1-ylmethyl)phenyl]-1-phenylprop-2-en-1-one is sourced from PubChem (CID 54597450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).