1-(4-methylphenyl)propan-1-one

C10H12O — CID 21429

IUPAC1-(4-methylphenyl)propan-1-one
SMILESCCC(=O)c1ccc(C)cc1
InChIInChI=1S/C10H12O/c1-3-10(11)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3
InChIKeyPATYHUUYADUHQS-UHFFFAOYSA-N
MW148.20 g/mol
LogP2.59
Rot. Bonds2

About 1-(4-methylphenyl)propan-1-one

1-(4-methylphenyl)propan-1-one (PubChem CID 21429) has the molecular formula C10H12O and a molecular weight of 148.20 g/mol. Its IUPAC name is 1-(4-methylphenyl)propan-1-one.

Molecular Properties

Compound Name1-(4-methylphenyl)propan-1-one
PubChem CID21429
Molecular FormulaC10H12O
Molecular Weight148.20 g/mol
Exact Mass148.09
IUPAC Name1-(4-methylphenyl)propan-1-one
SMILESCCC(=O)c1ccc(C)cc1
InChIInChI=1S/C10H12O/c1-3-10(11)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3
InChIKeyPATYHUUYADUHQS-UHFFFAOYSA-N
XLogP2.59
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)propan-1-one?
The IUPAC name of 1-(4-methylphenyl)propan-1-one (CID 21429) is 1-(4-methylphenyl)propan-1-one.
What is the SMILES notation for 1-(4-methylphenyl)propan-1-one?
The canonical SMILES for 1-(4-methylphenyl)propan-1-one is CCC(=O)c1ccc(C)cc1.
What is the InChIKey of 1-(4-methylphenyl)propan-1-one?
The InChIKey is PATYHUUYADUHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O/c1-3-10(11)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3.
What are the key properties of 1-(4-methylphenyl)propan-1-one?
1-(4-methylphenyl)propan-1-one has a molecular weight of 148.20 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)propan-1-one is sourced from PubChem (CID 21429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).