(E)-6-(4-methylphenyl)hept-5-en-2-one

C14H18O — CID 15742291

IUPAC(E)-6-(4-methylphenyl)hept-5-en-2-one
SMILESCC(=O)CC/C=C(\C)c1ccc(C)cc1
InChIInChI=1S/C14H18O/c1-11-7-9-14(10-8-11)12(2)5-4-6-13(3)15/h5,7-10H,4,6H2,1-3H3/b12-5+
InChIKeyRVUYAOXBZBZXJQ-LFYBBSHMSA-N
MW202.30 g/mol
LogP3.77
Rot. Bonds4

About (E)-6-(4-methylphenyl)hept-5-en-2-one

(E)-6-(4-methylphenyl)hept-5-en-2-one (PubChem CID 15742291) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is (E)-6-(4-methylphenyl)hept-5-en-2-one.

Molecular Properties

Compound Name(E)-6-(4-methylphenyl)hept-5-en-2-one
PubChem CID15742291
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name(E)-6-(4-methylphenyl)hept-5-en-2-one
SMILESCC(=O)CC/C=C(\C)c1ccc(C)cc1
InChIInChI=1S/C14H18O/c1-11-7-9-14(10-8-11)12(2)5-4-6-13(3)15/h5,7-10H,4,6H2,1-3H3/b12-5+
InChIKeyRVUYAOXBZBZXJQ-LFYBBSHMSA-N
XLogP3.77
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethyl 5-(4-methylphenyl)hex-4-enoate
CID 67331298
1-methyl-4-[(2E,5E)-6-(4-methylphenyl)hepta-2,5-dien-2-yl]benzene
CID 169013280
(E)-5-(4-methoxyphenyl)hex-4-enoic acid
CID 82079765
(Z)-1,3-bis(4-methylphenyl)but-2-en-1-one
CID 98548443
1-[(Z)-but-2-en-2-yl]-4-methylbenzene
CID 58843251
1-(4-methylphenyl)ethanone;hydrochloride
CID 172692328
1-but-2-en-2-yl-4-methylbenzene
CID 12583115
1-(4-methylphenyl)ethanone;pentan-2-one;toluene
CID 157441299
1-methyl-4-[(2Z,6Z)-6-(4-methylphenyl)octa-2,6-dien-3-yl]benzene
CID 10589610
4-[(4-methylphenyl)-(3-oxobutyl)phosphanyl]butan-2-one
CID 101425036
(E)-5-(2,5-dimethylphenyl)hex-4-enoic acid
CID 82079316
4-methyl-N-(4-oxopentyl)benzamide
CID 86117000

Frequently Asked Questions

What is the IUPAC name of (E)-6-(4-methylphenyl)hept-5-en-2-one?
The IUPAC name of (E)-6-(4-methylphenyl)hept-5-en-2-one (CID 15742291) is (E)-6-(4-methylphenyl)hept-5-en-2-one.
What is the SMILES notation for (E)-6-(4-methylphenyl)hept-5-en-2-one?
The canonical SMILES for (E)-6-(4-methylphenyl)hept-5-en-2-one is CC(=O)CC/C=C(\C)c1ccc(C)cc1.
What is the InChIKey of (E)-6-(4-methylphenyl)hept-5-en-2-one?
The InChIKey is RVUYAOXBZBZXJQ-LFYBBSHMSA-N. The full InChI is InChI=1S/C14H18O/c1-11-7-9-14(10-8-11)12(2)5-4-6-13(3)15/h5,7-10H,4,6H2,1-3H3/b12-5+.
What are the key properties of (E)-6-(4-methylphenyl)hept-5-en-2-one?
(E)-6-(4-methylphenyl)hept-5-en-2-one has a molecular weight of 202.30 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-(4-methylphenyl)hept-5-en-2-one is sourced from PubChem (CID 15742291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).