(E)-1-(4-methoxyphenyl)-2-methylidene-5-phenylpent-4-en-1-one

C19H18O2 — CID 72722749

IUPAC(E)-1-(4-methoxyphenyl)-2-methylidene-5-phenylpent-4-en-1-one
SMILESC=C(C/C=C/c1ccccc1)C(=O)c1ccc(OC)cc1
InChIInChI=1S/C19H18O2/c1-15(7-6-10-16-8-4-3-5-9-16)19(20)17-11-13-18(21-2)14-12-17/h3-6,8-14H,1,7H2,2H3/b10-6+
InChIKeyGIRDDHMZTLACKJ-UXBLZVDNSA-N
MW278.35 g/mol
LogP4.54
Rot. Bonds6

About (E)-1-(4-methoxyphenyl)-2-methylidene-5-phenylpent-4-en-1-one

(E)-1-(4-methoxyphenyl)-2-methylidene-5-phenylpent-4-en-1-one (PubChem CID 72722749) has the molecular formula C19H18O2 and a molecular weight of 278.35 g/mol. Its IUPAC name is (E)-1-(4-methoxyphenyl)-2-methylidene-5-phenylpent-4-en-1-one.

Molecular Properties

Compound Name(E)-1-(4-methoxyphenyl)-2-methylidene-5-phenylpent-4-en-1-one
PubChem CID72722749
Molecular FormulaC19H18O2
Molecular Weight278.35 g/mol
Exact Mass278.13
IUPAC Name(E)-1-(4-methoxyphenyl)-2-methylidene-5-phenylpent-4-en-1-one
SMILESC=C(C/C=C/c1ccccc1)C(=O)c1ccc(OC)cc1
InChIInChI=1S/C19H18O2/c1-15(7-6-10-16-8-4-3-5-9-16)19(20)17-11-13-18(21-2)14-12-17/h3-6,8-14H,1,7H2,2H3/b10-6+
InChIKeyGIRDDHMZTLACKJ-UXBLZVDNSA-N
XLogP4.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-1-(4-methoxyphenyl)-2-methylidene-5-phenylpent-4-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-methylidene-5-phenylpent-4-enoate;methyl 2-methylprop-2-enoate
CID 66766714
1-(4-methoxyphenyl)-2-methylidene-3-phenylpropane-1,3-dione
CID 15785953
2-methylbut-2-enoic acid;2-methylidene-5-phenylpent-4-enoic acid
CID 70152927
2-(methoxymethyl)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 163301307
(E)-2-methylidene-5-phenylpent-4-enoate
CID 22242504
2-methylidene-5-phenylpent-4-enoic acid;prop-2-enoyl chloride
CID 88777701
sodium 2-methylidene-5-phenylpent-4-enoate
CID 66780635
(Z)-1-(4-methoxyphenyl)-2,3-diphenylprop-2-en-1-one
CID 5372226
4-methoxy-N-[(E)-2-phenylethenyl]benzamide
CID 12560217
octadecyl 2-methylidene-5-phenylpent-4-enoate
CID 70031046
(E)-4-(4-methoxyphenyl)-N,N-dimethylbut-3-enamide
CID 11424540
(E)-1-(4-methoxyphenyl)-5-phenylpent-4-en-2-yn-1-one
CID 102363775

Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-methoxyphenyl)-2-methylidene-5-phenylpent-4-en-1-one?
The IUPAC name of (E)-1-(4-methoxyphenyl)-2-methylidene-5-phenylpent-4-en-1-one (CID 72722749) is (E)-1-(4-methoxyphenyl)-2-methylidene-5-phenylpent-4-en-1-one.
What is the SMILES notation for (E)-1-(4-methoxyphenyl)-2-methylidene-5-phenylpent-4-en-1-one?
The canonical SMILES for (E)-1-(4-methoxyphenyl)-2-methylidene-5-phenylpent-4-en-1-one is C=C(C/C=C/c1ccccc1)C(=O)c1ccc(OC)cc1.
What is the InChIKey of (E)-1-(4-methoxyphenyl)-2-methylidene-5-phenylpent-4-en-1-one?
The InChIKey is GIRDDHMZTLACKJ-UXBLZVDNSA-N. The full InChI is InChI=1S/C19H18O2/c1-15(7-6-10-16-8-4-3-5-9-16)19(20)17-11-13-18(21-2)14-12-17/h3-6,8-14H,1,7H2,2H3/b10-6+.
What are the key properties of (E)-1-(4-methoxyphenyl)-2-methylidene-5-phenylpent-4-en-1-one?
(E)-1-(4-methoxyphenyl)-2-methylidene-5-phenylpent-4-en-1-one has a molecular weight of 278.35 g/mol, XLogP of 4.54, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-methoxyphenyl)-2-methylidene-5-phenylpent-4-en-1-one is sourced from PubChem (CID 72722749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).