3-Methyl-4-(4-isopropylphenyl)butan-2-one

HCID 95615

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Basic information

CAS: 3488-51-5
Standard SMILES: CC(=O)C(C)Cc1ccc(C(C)C)cc1
InChIKey: LJIOIEYRNGRXQS-UHFFFAOYSA-N
Molecular formula: C14H20O
Average molar mass: 204.31 g/mol
Monoisotopic mass: 204.15141526

Overview

See also: 2-Butanone, 3-methyl-4-(4-(1-methylethyl)phenyl)- (annotation moved to).

Names & identifiers

Preferred name: 3-Methyl-4-(4-isopropylphenyl)butan-2-one
IUPAC: 3-methyl-4-(4-propan-2-ylphenyl)butan-2-one
English name: 3-methyl-4-(4-isopropylphenyl)butan-2-one
Molecular formula: C14H20O
Molecular weight: 204.31

Names & synonyms

3488-51-5EINECS 222-480-23-Methyl-4-(4-isopropylphenyl)butan-2-oneNSC235043-methyl-4-[4-(propan-2-yl)phenyl]butan-2-one3-Methyl-4-[4-(1-methylethyl)phenyl]-2-butanone2-Butanone,3-methyl-4-[4-(1-methylethyl)phenyl]-LJIOIEYRNGRXQS-UHFFFAOYSA-NDTXSID601244259NSC 23504NSC-23504DS-013051

Show more names

2-Butanone, 3-methyl-4-[4-(1-methylethyl)phenyl]-

NS00049503

Database identifiers

CAS: 3488-51-5
PubChem CID: 95615
DTXSID: DTXSID601244259
EC Number: 222-480-2
Nikkaji: J216.150H

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 4
Heavy atoms: 15
Formal charge: 0
Complexity: 199

Chemistry & industry

Suppliers1 total

陕西缔都医药有限责任公司81148925 17391631969 · [email protected]

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