3-methyl-4-phenylpent-4-en-2-one

C12H14O — CID 130028619

IUPAC3-methyl-4-phenylpent-4-en-2-one
SMILESC=C(c1ccccc1)C(C)C(C)=O
InChIInChI=1S/C12H14O/c1-9(11(3)13)10(2)12-7-5-4-6-8-12/h4-9H,2H2,1,3H3
InChIKeyUEEBNJPSGARHLC-UHFFFAOYSA-N
MW174.24 g/mol
LogP2.92
Rot. Bonds3

About 3-methyl-4-phenylpent-4-en-2-one

3-methyl-4-phenylpent-4-en-2-one (PubChem CID 130028619) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is 3-methyl-4-phenylpent-4-en-2-one.

Molecular Properties

Compound Name3-methyl-4-phenylpent-4-en-2-one
PubChem CID130028619
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Name3-methyl-4-phenylpent-4-en-2-one
SMILESC=C(c1ccccc1)C(C)C(C)=O
InChIInChI=1S/C12H14O/c1-9(11(3)13)10(2)12-7-5-4-6-8-12/h4-9H,2H2,1,3H3
InChIKeyUEEBNJPSGARHLC-UHFFFAOYSA-N
XLogP2.92
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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3-hydroxybutan-2-one;1-phenylethanone
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2-methyl-1-phenylpropan-1-one;2-methylprop-2-enoic acid
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2-methyl-3-oxo-3-phenylpropanoate
CID 23290395
bis(diphenylmethanone);2-methylprop-2-enoic acid
CID 175044660
3-hydroxy-5-phenylhex-5-en-2-one
CID 129060443
ethane;3-methyl-2-methylidene-1-phenylbutan-1-one
CID 91407389
1-(cyclotetradecaheptaenyl)ethanone
CID 90871438
2-chloro-4-methyl-1-phenylpent-4-en-1-one
CID 14508132
5-phenyl-3-sulfanylhex-5-en-2-one
CID 129060444
3,3-dichloroprop-1-en-2-ylbenzene
CID 139684533

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-phenylpent-4-en-2-one?
The IUPAC name of 3-methyl-4-phenylpent-4-en-2-one (CID 130028619) is 3-methyl-4-phenylpent-4-en-2-one.
What is the SMILES notation for 3-methyl-4-phenylpent-4-en-2-one?
The canonical SMILES for 3-methyl-4-phenylpent-4-en-2-one is C=C(c1ccccc1)C(C)C(C)=O.
What is the InChIKey of 3-methyl-4-phenylpent-4-en-2-one?
The InChIKey is UEEBNJPSGARHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O/c1-9(11(3)13)10(2)12-7-5-4-6-8-12/h4-9H,2H2,1,3H3.
What are the key properties of 3-methyl-4-phenylpent-4-en-2-one?
3-methyl-4-phenylpent-4-en-2-one has a molecular weight of 174.24 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-phenylpent-4-en-2-one is sourced from PubChem (CID 130028619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).