1-(3-methyl-4-propylphenyl)ethanone

C12H16O — CID 118119464

IUPAC1-(3-methyl-4-propylphenyl)ethanone
SMILESCCCc1ccc(C(C)=O)cc1C
InChIInChI=1S/C12H16O/c1-4-5-11-6-7-12(10(3)13)8-9(11)2/h6-8H,4-5H2,1-3H3
InChIKeyRVCGBSCPFIEVNR-UHFFFAOYSA-N
MW176.26 g/mol
LogP3.15
Rot. Bonds3

About 1-(3-methyl-4-propylphenyl)ethanone

1-(3-methyl-4-propylphenyl)ethanone (PubChem CID 118119464) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is 1-(3-methyl-4-propylphenyl)ethanone.

Molecular Properties

Compound Name1-(3-methyl-4-propylphenyl)ethanone
PubChem CID118119464
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name1-(3-methyl-4-propylphenyl)ethanone
SMILESCCCc1ccc(C(C)=O)cc1C
InChIInChI=1S/C12H16O/c1-4-5-11-6-7-12(10(3)13)8-9(11)2/h6-8H,4-5H2,1-3H3
InChIKeyRVCGBSCPFIEVNR-UHFFFAOYSA-N
XLogP3.15
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-butan-2-yl-4-propylphenyl)ethanone
CID 165142763
1-(3,4-dimethylphenyl)ethanone;1-(3-ethyl-4-methylphenyl)ethanone
CID 159972126
1-(4-acetyl-3-methylphenyl)ethanone;1-(4-acetylphenyl)ethanone
CID 54481190
1-[4-[ethyl(methyl)amino]-3-methylphenyl]ethanone
CID 20641435
(E)-2-methyl-N-(3-methyl-4-propylphenyl)but-2-enamide
CID 142913315
4-acetyl-2-propylbenzenesulfonamide
CID 73012694
4-ethyl-N,N,3-trimethylbenzamide
CID 150723672
1-[4-(2,3-difluoro-4-propylphenyl)phenyl]ethanone
CID 142331657
1-(5-prop-1-en-2-yl-2-propylphenyl)ethanone
CID 162722129
ethane;4-ethyl-3-methylbenzoic acid
CID 144686494
1-[4-(diethylamino)-3-methylphenyl]ethanone
CID 82054352
1,5-diethyl-2,4-dimethylbenzene;ethane;1-[3-methyl-4-[(Z)-prop-1-enyl]phenyl]ethanone
CID 144777077

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-4-propylphenyl)ethanone?
The IUPAC name of 1-(3-methyl-4-propylphenyl)ethanone (CID 118119464) is 1-(3-methyl-4-propylphenyl)ethanone.
What is the SMILES notation for 1-(3-methyl-4-propylphenyl)ethanone?
The canonical SMILES for 1-(3-methyl-4-propylphenyl)ethanone is CCCc1ccc(C(C)=O)cc1C.
What is the InChIKey of 1-(3-methyl-4-propylphenyl)ethanone?
The InChIKey is RVCGBSCPFIEVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O/c1-4-5-11-6-7-12(10(3)13)8-9(11)2/h6-8H,4-5H2,1-3H3.
What are the key properties of 1-(3-methyl-4-propylphenyl)ethanone?
1-(3-methyl-4-propylphenyl)ethanone has a molecular weight of 176.26 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-4-propylphenyl)ethanone is sourced from PubChem (CID 118119464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).