6-(4-chlorophenyl)hex-1-en-3-one

C12H13ClO — CID 145267913

IUPAC6-(4-chlorophenyl)hex-1-en-3-one
SMILESC=CC(=O)CCCc1ccc(Cl)cc1
InChIInChI=1S/C12H13ClO/c1-2-12(14)5-3-4-10-6-8-11(13)9-7-10/h2,6-9H,1,3-5H2
InChIKeyHHXNYHTUHNQXTB-UHFFFAOYSA-N
MW208.69 g/mol
LogP3.42
Rot. Bonds5

About 6-(4-chlorophenyl)hex-1-en-3-one

6-(4-chlorophenyl)hex-1-en-3-one (PubChem CID 145267913) has the molecular formula C12H13ClO and a molecular weight of 208.69 g/mol. Its IUPAC name is 6-(4-chlorophenyl)hex-1-en-3-one.

Molecular Properties

Compound Name6-(4-chlorophenyl)hex-1-en-3-one
PubChem CID145267913
Molecular FormulaC12H13ClO
Molecular Weight208.69 g/mol
Exact Mass208.07
IUPAC Name6-(4-chlorophenyl)hex-1-en-3-one
SMILESC=CC(=O)CCCc1ccc(Cl)cc1
InChIInChI=1S/C12H13ClO/c1-2-12(14)5-3-4-10-6-8-11(13)9-7-10/h2,6-9H,1,3-5H2
InChIKeyHHXNYHTUHNQXTB-UHFFFAOYSA-N
XLogP3.42
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.69
LogP ≤ 53.42
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

N-butyl-4-(4-chlorophenyl)butanamide
CID 110297621
4-(4-chlorophenyl)-N-[3-(methylamino)propyl]butanamide
CID 174351347
5-(4-chlorophenyl)pentanoyl fluoride
CID 142840558
N-(2-aminopropyl)-4-(4-chlorophenyl)butanamide
CID 82354216
6-[4-(4-chlorophenyl)butanoylamino]hexanoic acid
CID 94966413
N-(5-chloro-2-hydroxyphenyl)-4-(4-chlorophenyl)butanamide
CID 56581213
ethyl 4-(4-chlorophenyl)butanoate
CID 14921100
9-(4-chlorophenyl)-2-methylidenenonanoic acid
CID 20544233
4-(4-chlorophenyl)-N-(2-pyrrol-1-ylethyl)butanamide
CID 70785091
N-[2-[4-(4-chlorophenyl)butanoylamino]ethyl]benzamide
CID 110309420
N-[3-(4-chlorophenyl)propyl]-4-(methylamino)butanamide
CID 119764682
(E)-6-(4-chlorophenyl)-3-(trifluoromethyl)hex-2-enoic acid
CID 82534887

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)hex-1-en-3-one?
The IUPAC name of 6-(4-chlorophenyl)hex-1-en-3-one (CID 145267913) is 6-(4-chlorophenyl)hex-1-en-3-one.
What is the SMILES notation for 6-(4-chlorophenyl)hex-1-en-3-one?
The canonical SMILES for 6-(4-chlorophenyl)hex-1-en-3-one is C=CC(=O)CCCc1ccc(Cl)cc1.
What is the InChIKey of 6-(4-chlorophenyl)hex-1-en-3-one?
The InChIKey is HHXNYHTUHNQXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClO/c1-2-12(14)5-3-4-10-6-8-11(13)9-7-10/h2,6-9H,1,3-5H2.
What are the key properties of 6-(4-chlorophenyl)hex-1-en-3-one?
6-(4-chlorophenyl)hex-1-en-3-one has a molecular weight of 208.69 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)hex-1-en-3-one is sourced from PubChem (CID 145267913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).