4-methyl-1,2-diphenylpent-1-en-3-one

C18H18O — CID 54502058

IUPAC4-methyl-1,2-diphenylpent-1-en-3-one
SMILESCC(C)C(=O)C(=Cc1ccccc1)c1ccccc1
InChIInChI=1S/C18H18O/c1-14(2)18(19)17(16-11-7-4-8-12-16)13-15-9-5-3-6-10-15/h3-14H,1-2H3
InChIKeyYDCQTPIRIOZLNJ-UHFFFAOYSA-N
MW250.34 g/mol
LogP4.45
Rot. Bonds4

About 4-methyl-1,2-diphenylpent-1-en-3-one

4-methyl-1,2-diphenylpent-1-en-3-one (PubChem CID 54502058) has the molecular formula C18H18O and a molecular weight of 250.34 g/mol. Its IUPAC name is 4-methyl-1,2-diphenylpent-1-en-3-one.

Molecular Properties

Compound Name4-methyl-1,2-diphenylpent-1-en-3-one
PubChem CID54502058
Molecular FormulaC18H18O
Molecular Weight250.34 g/mol
Exact Mass250.14
IUPAC Name4-methyl-1,2-diphenylpent-1-en-3-one
SMILESCC(C)C(=O)C(=Cc1ccccc1)c1ccccc1
InChIInChI=1S/C18H18O/c1-14(2)18(19)17(16-11-7-4-8-12-16)13-15-9-5-3-6-10-15/h3-14H,1-2H3
InChIKeyYDCQTPIRIOZLNJ-UHFFFAOYSA-N
XLogP4.45
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,3-diphenyl-N-propan-2-ylprop-2-enamide
CID 718287
(E)-2,3-diphenyl-N-propan-2-ylprop-2-enamide
CID 718290
(E)-N-(3-methylbutan-2-yl)-2,3-diphenylprop-2-enamide
CID 133240414
(E)-6-methyl-1,2-diphenylhept-1-ene-3,4-dione
CID 102352907
(Z)-2,3-diphenylprop-2-enoyl chloride
CID 12558834
(Z)-2,3-diphenylprop-2-enamide
CID 6016357
6-methylheptan-2-yl 2,3-diphenylprop-2-enoate
CID 175010267
ethenyl (Z)-2,3-diphenylprop-2-enoate
CID 19093241
acetic acid;ethenyl 2,3-diphenylprop-2-enoate
CID 174744472
methyl (2E,4E)-3,4,5-triphenylpenta-2,4-dienoate
CID 101482031
S-tert-butyl (E)-2,3-diphenylprop-2-enethioate
CID 101116225
1,4-diphenylbenzene;[(1E,3E)-1,3,4-triphenylbuta-1,3-dien-2-yl]benzene
CID 22765483

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,2-diphenylpent-1-en-3-one?
The IUPAC name of 4-methyl-1,2-diphenylpent-1-en-3-one (CID 54502058) is 4-methyl-1,2-diphenylpent-1-en-3-one.
What is the SMILES notation for 4-methyl-1,2-diphenylpent-1-en-3-one?
The canonical SMILES for 4-methyl-1,2-diphenylpent-1-en-3-one is CC(C)C(=O)C(=Cc1ccccc1)c1ccccc1.
What is the InChIKey of 4-methyl-1,2-diphenylpent-1-en-3-one?
The InChIKey is YDCQTPIRIOZLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O/c1-14(2)18(19)17(16-11-7-4-8-12-16)13-15-9-5-3-6-10-15/h3-14H,1-2H3.
What are the key properties of 4-methyl-1,2-diphenylpent-1-en-3-one?
4-methyl-1,2-diphenylpent-1-en-3-one has a molecular weight of 250.34 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,2-diphenylpent-1-en-3-one is sourced from PubChem (CID 54502058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).