(E)-3-(2-chlorophenyl)-1-cyclopenta-2,4-dien-1-ylprop-2-en-1-one

C14H11ClO — CID 12072432

IUPAC(E)-3-(2-chlorophenyl)-1-cyclopenta-2,4-dien-1-ylprop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1Cl)C1C=CC=C1
InChIInChI=1S/C14H11ClO/c15-13-8-4-3-5-11(13)9-10-14(16)12-6-1-2-7-12/h1-10,12H/b10-9+
InChIKeyUVAUPLUPWYHOSA-MDZDMXLPSA-N
MW230.69 g/mol
LogP3.66
Rot. Bonds3

About (E)-3-(2-chlorophenyl)-1-cyclopenta-2,4-dien-1-ylprop-2-en-1-one

(E)-3-(2-chlorophenyl)-1-cyclopenta-2,4-dien-1-ylprop-2-en-1-one (PubChem CID 12072432) has the molecular formula C14H11ClO and a molecular weight of 230.69 g/mol. Its IUPAC name is (E)-3-(2-chlorophenyl)-1-cyclopenta-2,4-dien-1-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(2-chlorophenyl)-1-cyclopenta-2,4-dien-1-ylprop-2-en-1-one
PubChem CID12072432
Molecular FormulaC14H11ClO
Molecular Weight230.69 g/mol
Exact Mass230.05
IUPAC Name(E)-3-(2-chlorophenyl)-1-cyclopenta-2,4-dien-1-ylprop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1Cl)C1C=CC=C1
InChIInChI=1S/C14H11ClO/c15-13-8-4-3-5-11(13)9-10-14(16)12-6-1-2-7-12/h1-10,12H/b10-9+
InChIKeyUVAUPLUPWYHOSA-MDZDMXLPSA-N
XLogP3.66
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.69
LogP ≤ 53.66
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

(Z)-4-(2-chlorophenyl)but-3-en-2-one
CID 23273586
(E)-3-(2-chlorophenyl)prop-2-enoic acid
CID 700642
(E)-1,3-bis(2-chlorophenyl)prop-2-en-1-one
CID 5388429
(E)-3-(2-chlorophenyl)-N-[4-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]cyclohexyl]prop-2-enamide
CID 6265521
(E)-3-(2-chlorophenyl)-N-[2-(dimethylamino)ethyl]prop-2-enamide;hydrochloride
CID 19166685
4-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]cyclohexane-1-carboxylic acid
CID 60809194
amino (E)-3-(2-chlorophenyl)prop-2-enoate
CID 10012953
(Z)-4-(2-chlorophenyl)-1,1,1-trifluorobut-3-en-2-one
CID 23274147
3-(2-chlorophenyl)-N-(2-fluorophenyl)prop-2-enamide
CID 966058
3-(2-chlorophenyl)-N-cyclooctylprop-2-enamide
CID 966037
1-chloro-2-[(1E,3E,5E)-6-(2-chlorophenyl)hexa-1,3,5-trienyl]benzene
CID 59205815
(E)-3-(2-chlorophenyl)-N,N-bis(prop-2-enyl)prop-2-enamide
CID 879942

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-chlorophenyl)-1-cyclopenta-2,4-dien-1-ylprop-2-en-1-one?
The IUPAC name of (E)-3-(2-chlorophenyl)-1-cyclopenta-2,4-dien-1-ylprop-2-en-1-one (CID 12072432) is (E)-3-(2-chlorophenyl)-1-cyclopenta-2,4-dien-1-ylprop-2-en-1-one.
What is the SMILES notation for (E)-3-(2-chlorophenyl)-1-cyclopenta-2,4-dien-1-ylprop-2-en-1-one?
The canonical SMILES for (E)-3-(2-chlorophenyl)-1-cyclopenta-2,4-dien-1-ylprop-2-en-1-one is O=C(/C=C/c1ccccc1Cl)C1C=CC=C1.
What is the InChIKey of (E)-3-(2-chlorophenyl)-1-cyclopenta-2,4-dien-1-ylprop-2-en-1-one?
The InChIKey is UVAUPLUPWYHOSA-MDZDMXLPSA-N. The full InChI is InChI=1S/C14H11ClO/c15-13-8-4-3-5-11(13)9-10-14(16)12-6-1-2-7-12/h1-10,12H/b10-9+.
What are the key properties of (E)-3-(2-chlorophenyl)-1-cyclopenta-2,4-dien-1-ylprop-2-en-1-one?
(E)-3-(2-chlorophenyl)-1-cyclopenta-2,4-dien-1-ylprop-2-en-1-one has a molecular weight of 230.69 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-chlorophenyl)-1-cyclopenta-2,4-dien-1-ylprop-2-en-1-one is sourced from PubChem (CID 12072432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).