(Z)-1,4-dichloro-1-phenylpent-1-en-3-one

C11H10Cl2O — CID 135077289

IUPAC(Z)-1,4-dichloro-1-phenylpent-1-en-3-one
SMILESCC(Cl)C(=O)/C=C(\Cl)c1ccccc1
InChIInChI=1S/C11H10Cl2O/c1-8(12)11(14)7-10(13)9-5-3-2-4-6-9/h2-8H,1H3/b10-7-
InChIKeyCSEWTMPSJZZMCY-YFHOEESVSA-N
MW229.11 g/mol
LogP3.46
Rot. Bonds3

About (Z)-1,4-dichloro-1-phenylpent-1-en-3-one

(Z)-1,4-dichloro-1-phenylpent-1-en-3-one (PubChem CID 135077289) has the molecular formula C11H10Cl2O and a molecular weight of 229.11 g/mol. Its IUPAC name is (Z)-1,4-dichloro-1-phenylpent-1-en-3-one.

Molecular Properties

Compound Name(Z)-1,4-dichloro-1-phenylpent-1-en-3-one
PubChem CID135077289
Molecular FormulaC11H10Cl2O
Molecular Weight229.11 g/mol
Exact Mass228.01
IUPAC Name(Z)-1,4-dichloro-1-phenylpent-1-en-3-one
SMILESCC(Cl)C(=O)/C=C(\Cl)c1ccccc1
InChIInChI=1S/C11H10Cl2O/c1-8(12)11(14)7-10(13)9-5-3-2-4-6-9/h2-8H,1H3/b10-7-
InChIKeyCSEWTMPSJZZMCY-YFHOEESVSA-N
XLogP3.46
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.11
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-chloro-3-phenylprop-2-enoyl chloride
CID 13053218
(Z)-3-chloro-1,3-diphenylprop-2-en-1-one
CID 12890118
N-[(2R)-1-hydrazinyl-1-oxopropan-2-yl]benzamide
CID 673653
propan-2-yl (Z)-4-hydroxy-2-oxo-4-phenylbut-3-enoate
CID 82627877
[(Z)-2-(benzenesulfinyl)-1-chloroethenyl]benzene
CID 139262815
[(E)-2-chloro-2-phenylethenyl]-trifluoroboranuide
CID 102291546
(2R)-N-(benzhydrylideneamino)-2-chloropropanamide
CID 1488884
methyl (E)-4,4-dichloro-3-phenylbut-2-enoate
CID 121219418
tetrakis(carbonochloridic acid);diphenylmethanone
CID 173240243
benzoyl chloride;selane
CID 174449470
(2R,3R)-2-chloro-3-hydroxy-4-methyl-1-phenylpentan-1-one
CID 15441495
N-[(2R)-1-oxopropan-2-yl]benzamide
CID 59710359

Frequently Asked Questions

What is the IUPAC name of (Z)-1,4-dichloro-1-phenylpent-1-en-3-one?
The IUPAC name of (Z)-1,4-dichloro-1-phenylpent-1-en-3-one (CID 135077289) is (Z)-1,4-dichloro-1-phenylpent-1-en-3-one.
What is the SMILES notation for (Z)-1,4-dichloro-1-phenylpent-1-en-3-one?
The canonical SMILES for (Z)-1,4-dichloro-1-phenylpent-1-en-3-one is CC(Cl)C(=O)/C=C(\Cl)c1ccccc1.
What is the InChIKey of (Z)-1,4-dichloro-1-phenylpent-1-en-3-one?
The InChIKey is CSEWTMPSJZZMCY-YFHOEESVSA-N. The full InChI is InChI=1S/C11H10Cl2O/c1-8(12)11(14)7-10(13)9-5-3-2-4-6-9/h2-8H,1H3/b10-7-.
What are the key properties of (Z)-1,4-dichloro-1-phenylpent-1-en-3-one?
(Z)-1,4-dichloro-1-phenylpent-1-en-3-one has a molecular weight of 229.11 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,4-dichloro-1-phenylpent-1-en-3-one is sourced from PubChem (CID 135077289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).