(E)-6-(3-methoxyphenyl)hex-5-en-3-one

C13H16O2 — CID 71490780

IUPAC(E)-6-(3-methoxyphenyl)hex-5-en-3-one
SMILESCCC(=O)C/C=C/c1cccc(OC)c1
InChIInChI=1S/C13H16O2/c1-3-12(14)8-4-6-11-7-5-9-13(10-11)15-2/h4-7,9-10H,3,8H2,1-2H3/b6-4+
InChIKeyKJFWBGVJLGXCKT-GQCTYLIASA-N
MW204.27 g/mol
LogP3.08
Rot. Bonds5

About (E)-6-(3-methoxyphenyl)hex-5-en-3-one

(E)-6-(3-methoxyphenyl)hex-5-en-3-one (PubChem CID 71490780) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is (E)-6-(3-methoxyphenyl)hex-5-en-3-one.

Molecular Properties

Compound Name(E)-6-(3-methoxyphenyl)hex-5-en-3-one
PubChem CID71490780
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name(E)-6-(3-methoxyphenyl)hex-5-en-3-one
SMILESCCC(=O)C/C=C/c1cccc(OC)c1
InChIInChI=1S/C13H16O2/c1-3-12(14)8-4-6-11-7-5-9-13(10-11)15-2/h4-7,9-10H,3,8H2,1-2H3/b6-4+
InChIKeyKJFWBGVJLGXCKT-GQCTYLIASA-N
XLogP3.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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3-[(E)-2-(3-methoxyphenyl)ethenyl]phenol
CID 11401879
[(E)-3-(3-methoxyphenyl)prop-2-enyl] formate
CID 173173536
ethyl (E)-3-(3-methoxyphenyl)prop-2-enoate
CID 5373781
(Z)-N,N-diethyl-3-(3-methoxyphenyl)prop-2-enamide
CID 97304942
(E)-6-(3-methoxyphenyl)hex-5-en-1-ol
CID 14739737
4-ethyl-3-[(E)-2-(3-methoxyphenyl)ethenyl]hex-3-enoic acid
CID 135033927
(Z)-4-(3-methoxyphenyl)-2-oxobut-3-enoic acid
CID 93043949
(E)-1-(3-methoxyphenyl)-4,4-dimethylpent-1-en-3-one
CID 5388509
(2E,4Z)-5-(3-methoxyphenyl)penta-2,4-dienoic acid
CID 86306504
(E)-N-(cyanomethyl)-N-ethyl-3-(3-methoxyphenyl)prop-2-enamide
CID 47074626

Frequently Asked Questions

What is the IUPAC name of (E)-6-(3-methoxyphenyl)hex-5-en-3-one?
The IUPAC name of (E)-6-(3-methoxyphenyl)hex-5-en-3-one (CID 71490780) is (E)-6-(3-methoxyphenyl)hex-5-en-3-one.
What is the SMILES notation for (E)-6-(3-methoxyphenyl)hex-5-en-3-one?
The canonical SMILES for (E)-6-(3-methoxyphenyl)hex-5-en-3-one is CCC(=O)C/C=C/c1cccc(OC)c1.
What is the InChIKey of (E)-6-(3-methoxyphenyl)hex-5-en-3-one?
The InChIKey is KJFWBGVJLGXCKT-GQCTYLIASA-N. The full InChI is InChI=1S/C13H16O2/c1-3-12(14)8-4-6-11-7-5-9-13(10-11)15-2/h4-7,9-10H,3,8H2,1-2H3/b6-4+.
What are the key properties of (E)-6-(3-methoxyphenyl)hex-5-en-3-one?
(E)-6-(3-methoxyphenyl)hex-5-en-3-one has a molecular weight of 204.27 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-(3-methoxyphenyl)hex-5-en-3-one is sourced from PubChem (CID 71490780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).