(2Z)-2-(4-chlorophenyl)-6-methylhepta-2,5-dien-4-one

C14H15ClO — CID 13153107

IUPAC(2Z)-2-(4-chlorophenyl)-6-methylhepta-2,5-dien-4-one
SMILESCC(C)=CC(=O)/C=C(/C)c1ccc(Cl)cc1
InChIInChI=1S/C14H15ClO/c1-10(2)8-14(16)9-11(3)12-4-6-13(15)7-5-12/h4-9H,1-3H3/b11-9-
InChIKeyJYKZEZZCKVNXLF-LUAWRHEFSA-N
MW234.73 g/mol
LogP4.28
Rot. Bonds3

About (2Z)-2-(4-chlorophenyl)-6-methylhepta-2,5-dien-4-one

(2Z)-2-(4-chlorophenyl)-6-methylhepta-2,5-dien-4-one (PubChem CID 13153107) has the molecular formula C14H15ClO and a molecular weight of 234.73 g/mol. Its IUPAC name is (2Z)-2-(4-chlorophenyl)-6-methylhepta-2,5-dien-4-one.

Molecular Properties

Compound Name(2Z)-2-(4-chlorophenyl)-6-methylhepta-2,5-dien-4-one
PubChem CID13153107
Molecular FormulaC14H15ClO
Molecular Weight234.73 g/mol
Exact Mass234.08
IUPAC Name(2Z)-2-(4-chlorophenyl)-6-methylhepta-2,5-dien-4-one
SMILESCC(C)=CC(=O)/C=C(/C)c1ccc(Cl)cc1
InChIInChI=1S/C14H15ClO/c1-10(2)8-14(16)9-11(3)12-4-6-13(15)7-5-12/h4-9H,1-3H3/b11-9-
InChIKeyJYKZEZZCKVNXLF-LUAWRHEFSA-N
XLogP4.28
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.73
LogP ≤ 54.28
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

4-[(2E)-6-methyl-4-oxohepta-2,5-dien-2-yl]benzoic acid
CID 5316894
3-(4-chlorophenyl)but-2-enoic acid
CID 54307451
1-(4-chlorophenyl)-3-methylbut-2-en-1-one
CID 15164203
3-(4-chlorophenyl)but-2-enal
CID 74343436
1-chloro-4-[(1Z)-1-chloro-4-methylpenta-1,3-dienyl]benzene
CID 12881547
2-methylprop-1-enyl 4-chlorobenzoate
CID 10703694
carbonic acid;4-[5-(4-chlorophenyl)hexa-2,4-dien-3-yl]-1,2-dimethoxybenzene
CID 88725709
(Z)-3-[4-(2,4-dichlorophenyl)phenyl]but-2-enoic acid
CID 21322547
(E)-4-(4-chlorophenyl)pent-3-en-1-ol
CID 11995606
4-chloro(13C)benzoic acid
CID 66995527
N-[1-(4-chlorophenyl)prop-1-enyl]acetamide
CID 54375508
acetaldehyde;2-bromo-1-(4-chlorophenyl)ethanone
CID 158415531

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(4-chlorophenyl)-6-methylhepta-2,5-dien-4-one?
The IUPAC name of (2Z)-2-(4-chlorophenyl)-6-methylhepta-2,5-dien-4-one (CID 13153107) is (2Z)-2-(4-chlorophenyl)-6-methylhepta-2,5-dien-4-one.
What is the SMILES notation for (2Z)-2-(4-chlorophenyl)-6-methylhepta-2,5-dien-4-one?
The canonical SMILES for (2Z)-2-(4-chlorophenyl)-6-methylhepta-2,5-dien-4-one is CC(C)=CC(=O)/C=C(/C)c1ccc(Cl)cc1.
What is the InChIKey of (2Z)-2-(4-chlorophenyl)-6-methylhepta-2,5-dien-4-one?
The InChIKey is JYKZEZZCKVNXLF-LUAWRHEFSA-N. The full InChI is InChI=1S/C14H15ClO/c1-10(2)8-14(16)9-11(3)12-4-6-13(15)7-5-12/h4-9H,1-3H3/b11-9-.
What are the key properties of (2Z)-2-(4-chlorophenyl)-6-methylhepta-2,5-dien-4-one?
(2Z)-2-(4-chlorophenyl)-6-methylhepta-2,5-dien-4-one has a molecular weight of 234.73 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(4-chlorophenyl)-6-methylhepta-2,5-dien-4-one is sourced from PubChem (CID 13153107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).