1-(4-methoxyphenyl)-5-methylhex-4-en-1-one

C14H18O2 — CID 11160278

IUPAC1-(4-methoxyphenyl)-5-methylhex-4-en-1-one
SMILESCOc1ccc(C(=O)CCC=C(C)C)cc1
InChIInChI=1S/C14H18O2/c1-11(2)5-4-6-14(15)12-7-9-13(16-3)10-8-12/h5,7-10H,4,6H2,1-3H3
InChIKeyZMUVUXUVWHNAFD-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.62
Rot. Bonds5

About 1-(4-methoxyphenyl)-5-methylhex-4-en-1-one

1-(4-methoxyphenyl)-5-methylhex-4-en-1-one (PubChem CID 11160278) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-5-methylhex-4-en-1-one.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-5-methylhex-4-en-1-one
PubChem CID11160278
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name1-(4-methoxyphenyl)-5-methylhex-4-en-1-one
SMILESCOc1ccc(C(=O)CCC=C(C)C)cc1
InChIInChI=1S/C14H18O2/c1-11(2)5-4-6-14(15)12-7-9-13(16-3)10-8-12/h5,7-10H,4,6H2,1-3H3
InChIKeyZMUVUXUVWHNAFD-UHFFFAOYSA-N
XLogP3.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2E)-3,7-dimethylocta-2,6-dien-1-ol;4-methoxybenzoic acid
CID 174832774
1,9-bis(4-methoxyphenyl)nonane-1,9-dione
CID 3499009
(E)-5-(4-methoxyphenyl)hex-4-enoic acid
CID 82079765
1-(4-methoxyphenyl)butan-1-one;hydrochloride
CID 162084347
methyl 5,5-bis(4-methoxyphenyl)pent-4-enoate
CID 86169370
1-(4-acetylphenyl)-3-(4-methoxyphenoxy)propan-1-one
CID 163833634
(Z)-10-hydroxy-1-(4-methoxyphenyl)-4,8-dimethyldec-4-en-1-one
CID 140821197
1-(4-methoxyphenyl)nonan-1-one
CID 3628625
bis[3-(4-methoxyphenyl)-3-oxopropyl]-methylazanium chloride
CID 11760996
1-(4-methoxyphenyl)tetradecan-1-one
CID 4168978
4-amino-1-(4-methoxyphenyl)-4-methylpentan-1-one
CID 116571375
(4-methoxyphenyl)methyl (2E)-3,7-dimethylocta-2,6-dienoate
CID 170275325

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-5-methylhex-4-en-1-one?
The IUPAC name of 1-(4-methoxyphenyl)-5-methylhex-4-en-1-one (CID 11160278) is 1-(4-methoxyphenyl)-5-methylhex-4-en-1-one.
What is the SMILES notation for 1-(4-methoxyphenyl)-5-methylhex-4-en-1-one?
The canonical SMILES for 1-(4-methoxyphenyl)-5-methylhex-4-en-1-one is COc1ccc(C(=O)CCC=C(C)C)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-5-methylhex-4-en-1-one?
The InChIKey is ZMUVUXUVWHNAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-11(2)5-4-6-14(15)12-7-9-13(16-3)10-8-12/h5,7-10H,4,6H2,1-3H3.
What are the key properties of 1-(4-methoxyphenyl)-5-methylhex-4-en-1-one?
1-(4-methoxyphenyl)-5-methylhex-4-en-1-one has a molecular weight of 218.30 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-5-methylhex-4-en-1-one is sourced from PubChem (CID 11160278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).