(3Z)-5-methyl-4-phenylhexa-3,5-dien-2-one

C13H14O — CID 145260514

IUPAC(3Z)-5-methyl-4-phenylhexa-3,5-dien-2-one
SMILESC=C(C)/C(=C/C(C)=O)c1ccccc1
InChIInChI=1S/C13H14O/c1-10(2)13(9-11(3)14)12-7-5-4-6-8-12/h4-9H,1H2,2-3H3/b13-9-
InChIKeyCWVWLTOZXPJKPH-LCYFTJDESA-N
MW186.25 g/mol
LogP3.24
Rot. Bonds3

About (3Z)-5-methyl-4-phenylhexa-3,5-dien-2-one

(3Z)-5-methyl-4-phenylhexa-3,5-dien-2-one (PubChem CID 145260514) has the molecular formula C13H14O and a molecular weight of 186.25 g/mol. Its IUPAC name is (3Z)-5-methyl-4-phenylhexa-3,5-dien-2-one.

Molecular Properties

Compound Name(3Z)-5-methyl-4-phenylhexa-3,5-dien-2-one
PubChem CID145260514
Molecular FormulaC13H14O
Molecular Weight186.25 g/mol
Exact Mass186.10
IUPAC Name(3Z)-5-methyl-4-phenylhexa-3,5-dien-2-one
SMILESC=C(C)/C(=C/C(C)=O)c1ccccc1
InChIInChI=1S/C13H14O/c1-10(2)13(9-11(3)14)12-7-5-4-6-8-12/h4-9H,1H2,2-3H3/b13-9-
InChIKeyCWVWLTOZXPJKPH-LCYFTJDESA-N
XLogP3.24
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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4,4-diphenylbut-3-en-2-one;hydrazine
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4,4-diphenylbut-3-en-2-one;ethane;propan-2-one
CID 91332557
bis(diphenylmethanone);2-methylprop-2-enoic acid
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CID 73160345
5-bromo-4-phenylpent-3-en-2-one
CID 54089835
sodium (Z)-3-oxo-1-phenylbut-1-en-1-olate
CID 23681715
CID 159564409
CID 159564409
4-hydroxy-4-[4-(1,2,2-triphenylethenyl)phenyl]but-3-en-2-one
CID 175049722
bis(iron(2+));(Z)-4-oxopent-2-en-2-olate;benzoate
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Frequently Asked Questions

What is the IUPAC name of (3Z)-5-methyl-4-phenylhexa-3,5-dien-2-one?
The IUPAC name of (3Z)-5-methyl-4-phenylhexa-3,5-dien-2-one (CID 145260514) is (3Z)-5-methyl-4-phenylhexa-3,5-dien-2-one.
What is the SMILES notation for (3Z)-5-methyl-4-phenylhexa-3,5-dien-2-one?
The canonical SMILES for (3Z)-5-methyl-4-phenylhexa-3,5-dien-2-one is C=C(C)/C(=C/C(C)=O)c1ccccc1.
What is the InChIKey of (3Z)-5-methyl-4-phenylhexa-3,5-dien-2-one?
The InChIKey is CWVWLTOZXPJKPH-LCYFTJDESA-N. The full InChI is InChI=1S/C13H14O/c1-10(2)13(9-11(3)14)12-7-5-4-6-8-12/h4-9H,1H2,2-3H3/b13-9-.
What are the key properties of (3Z)-5-methyl-4-phenylhexa-3,5-dien-2-one?
(3Z)-5-methyl-4-phenylhexa-3,5-dien-2-one has a molecular weight of 186.25 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-methyl-4-phenylhexa-3,5-dien-2-one is sourced from PubChem (CID 145260514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).