1-(4-methoxy-3-methylphenyl)ethanone

C10H12O2 — CID 24806

IUPAC1-(4-methoxy-3-methylphenyl)ethanone
SMILESCOc1ccc(C(C)=O)cc1C
InChIInChI=1S/C10H12O2/c1-7-6-9(8(2)11)4-5-10(7)12-3/h4-6H,1-3H3
InChIKeySRPCRBVBOIYYHS-UHFFFAOYSA-N
MW164.20 g/mol
LogP2.21
Rot. Bonds2

About 1-(4-methoxy-3-methylphenyl)ethanone

1-(4-methoxy-3-methylphenyl)ethanone (PubChem CID 24806) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 1-(4-methoxy-3-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(4-methoxy-3-methylphenyl)ethanone
PubChem CID24806
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name1-(4-methoxy-3-methylphenyl)ethanone
SMILESCOc1ccc(C(C)=O)cc1C
InChIInChI=1S/C10H12O2/c1-7-6-9(8(2)11)4-5-10(7)12-3/h4-6H,1-3H3
InChIKeySRPCRBVBOIYYHS-UHFFFAOYSA-N
XLogP2.21
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-3-methylphenyl)ethanone?
The IUPAC name of 1-(4-methoxy-3-methylphenyl)ethanone (CID 24806) is 1-(4-methoxy-3-methylphenyl)ethanone.
What is the SMILES notation for 1-(4-methoxy-3-methylphenyl)ethanone?
The canonical SMILES for 1-(4-methoxy-3-methylphenyl)ethanone is COc1ccc(C(C)=O)cc1C.
What is the InChIKey of 1-(4-methoxy-3-methylphenyl)ethanone?
The InChIKey is SRPCRBVBOIYYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-7-6-9(8(2)11)4-5-10(7)12-3/h4-6H,1-3H3.
What are the key properties of 1-(4-methoxy-3-methylphenyl)ethanone?
1-(4-methoxy-3-methylphenyl)ethanone has a molecular weight of 164.20 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-3-methylphenyl)ethanone is sourced from PubChem (CID 24806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).