1-(3-methoxyphenyl)ethanone

C9H10O2 — CID 11460

IUPAC1-(3-methoxyphenyl)ethanone
SMILESCOc1cccc(C(C)=O)c1
InChIInChI=1S/C9H10O2/c1-7(10)8-4-3-5-9(6-8)11-2/h3-6H,1-2H3
InChIKeyBAYUSCHCCGXLAY-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.90
Rot. Bonds2

About 1-(3-methoxyphenyl)ethanone

1-(3-methoxyphenyl)ethanone (PubChem CID 11460) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(3-methoxyphenyl)ethanone
PubChem CID11460
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name1-(3-methoxyphenyl)ethanone
SMILESCOc1cccc(C(C)=O)c1
InChIInChI=1S/C9H10O2/c1-7(10)8-4-3-5-9(6-8)11-2/h3-6H,1-2H3
InChIKeyBAYUSCHCCGXLAY-UHFFFAOYSA-N
XLogP1.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)ethanone?
The IUPAC name of 1-(3-methoxyphenyl)ethanone (CID 11460) is 1-(3-methoxyphenyl)ethanone.
What is the SMILES notation for 1-(3-methoxyphenyl)ethanone?
The canonical SMILES for 1-(3-methoxyphenyl)ethanone is COc1cccc(C(C)=O)c1.
What is the InChIKey of 1-(3-methoxyphenyl)ethanone?
The InChIKey is BAYUSCHCCGXLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2/c1-7(10)8-4-3-5-9(6-8)11-2/h3-6H,1-2H3.
What are the key properties of 1-(3-methoxyphenyl)ethanone?
1-(3-methoxyphenyl)ethanone has a molecular weight of 150.18 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)ethanone is sourced from PubChem (CID 11460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).