(E)-1-(4-methoxyphenyl)-5-phenylpent-1-en-3-one

C18H18O2 — CID 162400827

IUPAC(E)-1-(4-methoxyphenyl)-5-phenylpent-1-en-3-one
SMILESCOc1ccc(/C=C/C(=O)CCc2ccccc2)cc1
InChIInChI=1S/C18H18O2/c1-20-18-13-9-16(10-14-18)8-12-17(19)11-7-15-5-3-2-4-6-15/h2-6,8-10,12-14H,7,11H2,1H3/b12-8+
InChIKeyYAKWTIOBFIVDKP-XYOKQWHBSA-N
MW266.34 g/mol
LogP3.91
Rot. Bonds6

About (E)-1-(4-methoxyphenyl)-5-phenylpent-1-en-3-one

(E)-1-(4-methoxyphenyl)-5-phenylpent-1-en-3-one (PubChem CID 162400827) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is (E)-1-(4-methoxyphenyl)-5-phenylpent-1-en-3-one.

Molecular Properties

Compound Name(E)-1-(4-methoxyphenyl)-5-phenylpent-1-en-3-one
PubChem CID162400827
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name(E)-1-(4-methoxyphenyl)-5-phenylpent-1-en-3-one
SMILESCOc1ccc(/C=C/C(=O)CCc2ccccc2)cc1
InChIInChI=1S/C18H18O2/c1-20-18-13-9-16(10-14-18)8-12-17(19)11-7-15-5-3-2-4-6-15/h2-6,8-10,12-14H,7,11H2,1H3/b12-8+
InChIKeyYAKWTIOBFIVDKP-XYOKQWHBSA-N
XLogP3.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]phenyl]-3-phenylpropanamide
CID 17233523
(E)-1-(4-hydroxy-3-methoxyphenyl)-5-phenylpent-1-en-3-one
CID 11550934
1-(4-hydroxy-3-methoxyphenyl)-5-phenylpent-1-en-3-one
CID 54335344
1-[4-(dimethylamino)phenyl]-5-phenylpent-1-en-3-one
CID 2750650
[4-[(E)-5-(4-acetyloxyphenyl)-3-oxopent-4-enyl]phenyl] acetate
CID 102288396
N-[4-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioylamino]phenyl]-3-phenylpropanamide
CID 17233696
(E)-1-iodo-4-(4-methoxyphenyl)but-3-en-2-one
CID 102521319
1,1-bis(benzylsulfanyl)-5-(4-methoxyphenyl)penta-1,4-dien-3-one
CID 3869424
5-hydroxy-1,7-diphenylhepta-4,6-dien-3-one
CID 75115780
(4Z,6E)-5-hydroxy-1,7-diphenylhepta-4,6-dien-3-one
CID 126592759
(E)-5-(diethylamino)-1-(4-methoxyphenyl)pent-1-en-3-one;hydrochloride
CID 45261861
2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-(4-phenylbutan-2-yl)propanamide
CID 51157915

Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-methoxyphenyl)-5-phenylpent-1-en-3-one?
The IUPAC name of (E)-1-(4-methoxyphenyl)-5-phenylpent-1-en-3-one (CID 162400827) is (E)-1-(4-methoxyphenyl)-5-phenylpent-1-en-3-one.
What is the SMILES notation for (E)-1-(4-methoxyphenyl)-5-phenylpent-1-en-3-one?
The canonical SMILES for (E)-1-(4-methoxyphenyl)-5-phenylpent-1-en-3-one is COc1ccc(/C=C/C(=O)CCc2ccccc2)cc1.
What is the InChIKey of (E)-1-(4-methoxyphenyl)-5-phenylpent-1-en-3-one?
The InChIKey is YAKWTIOBFIVDKP-XYOKQWHBSA-N. The full InChI is InChI=1S/C18H18O2/c1-20-18-13-9-16(10-14-18)8-12-17(19)11-7-15-5-3-2-4-6-15/h2-6,8-10,12-14H,7,11H2,1H3/b12-8+.
What are the key properties of (E)-1-(4-methoxyphenyl)-5-phenylpent-1-en-3-one?
(E)-1-(4-methoxyphenyl)-5-phenylpent-1-en-3-one has a molecular weight of 266.34 g/mol, XLogP of 3.91, 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)-5-phenylpent-1-en-3-one is sourced from PubChem (CID 162400827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).