(E)-5-(4-methylphenyl)-1-phenylhex-1-en-3-one

C19H20O — CID 6073038

IUPAC(E)-5-(4-methylphenyl)-1-phenylhex-1-en-3-one
SMILESCc1ccc(C(C)CC(=O)/C=C/c2ccccc2)cc1
InChIInChI=1S/C19H20O/c1-15-8-11-18(12-9-15)16(2)14-19(20)13-10-17-6-4-3-5-7-17/h3-13,16H,14H2,1-2H3/b13-10+
InChIKeyKFISWBJQHQEPIA-JLHYYAGUSA-N
MW264.37 g/mol
LogP4.77
Rot. Bonds5

About (E)-5-(4-methylphenyl)-1-phenylhex-1-en-3-one

(E)-5-(4-methylphenyl)-1-phenylhex-1-en-3-one (PubChem CID 6073038) has the molecular formula C19H20O and a molecular weight of 264.37 g/mol. Its IUPAC name is (E)-5-(4-methylphenyl)-1-phenylhex-1-en-3-one.

Molecular Properties

Compound Name(E)-5-(4-methylphenyl)-1-phenylhex-1-en-3-one
PubChem CID6073038
Molecular FormulaC19H20O
Molecular Weight264.37 g/mol
Exact Mass264.15
IUPAC Name(E)-5-(4-methylphenyl)-1-phenylhex-1-en-3-one
SMILESCc1ccc(C(C)CC(=O)/C=C/c2ccccc2)cc1
InChIInChI=1S/C19H20O/c1-15-8-11-18(12-9-15)16(2)14-19(20)13-10-17-6-4-3-5-7-17/h3-13,16H,14H2,1-2H3/b13-10+
InChIKeyKFISWBJQHQEPIA-JLHYYAGUSA-N
XLogP4.77
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-5-methyl-1-phenylhex-1-en-3-one
CID 92529574
1-hydroxy-1-(4-methylphenyl)-4-phenylbut-3-en-2-one
CID 4661079
ethyl (E,2S)-2-hydroxy-4-oxo-6-phenylhex-5-enoate
CID 56851553
(1E,4E)-1-(4-methylphenyl)-5-phenylpenta-1,4-dien-3-one
CID 6175900
methyl (E)-2-hydroxy-4-oxo-6-phenylhex-5-enoate
CID 11107258
(Z)-6,6-dimethyl-1,5-diphenylhept-1-en-3-one
CID 54602474
(E)-N-[(S)-(4-methylphenyl)-phenylmethyl]-3-phenylprop-2-enamide
CID 99947102
1,5-diphenyloct-1-ene-3,6-dione
CID 71384497
(E)-5-hydroxy-1-phenylnon-1-en-3-one
CID 11264760
(E)-N-[(4-methylphenyl)-phenylmethyl]-3-phenylprop-2-enamide
CID 132760659
(E)-N-[(R)-(4-methylphenyl)-phenylmethyl]-3-phenylprop-2-enamide
CID 99947103
5-(4-methylphenyl)-4-[(4-methylphenyl)methyl]-1-phenylpent-1-en-3-one
CID 175806299

Frequently Asked Questions

What is the IUPAC name of (E)-5-(4-methylphenyl)-1-phenylhex-1-en-3-one?
The IUPAC name of (E)-5-(4-methylphenyl)-1-phenylhex-1-en-3-one (CID 6073038) is (E)-5-(4-methylphenyl)-1-phenylhex-1-en-3-one.
What is the SMILES notation for (E)-5-(4-methylphenyl)-1-phenylhex-1-en-3-one?
The canonical SMILES for (E)-5-(4-methylphenyl)-1-phenylhex-1-en-3-one is Cc1ccc(C(C)CC(=O)/C=C/c2ccccc2)cc1.
What is the InChIKey of (E)-5-(4-methylphenyl)-1-phenylhex-1-en-3-one?
The InChIKey is KFISWBJQHQEPIA-JLHYYAGUSA-N. The full InChI is InChI=1S/C19H20O/c1-15-8-11-18(12-9-15)16(2)14-19(20)13-10-17-6-4-3-5-7-17/h3-13,16H,14H2,1-2H3/b13-10+.
What are the key properties of (E)-5-(4-methylphenyl)-1-phenylhex-1-en-3-one?
(E)-5-(4-methylphenyl)-1-phenylhex-1-en-3-one has a molecular weight of 264.37 g/mol, XLogP of 4.77, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-(4-methylphenyl)-1-phenylhex-1-en-3-one is sourced from PubChem (CID 6073038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).