2-methoxy-1-(2-methyl-4-phenoxyphenyl)ethanone

C16H16O3 — CID 82051086

IUPAC2-methoxy-1-(2-methyl-4-phenoxyphenyl)ethanone
SMILESCOCC(=O)c1ccc(Oc2ccccc2)cc1C
InChIInChI=1S/C16H16O3/c1-12-10-14(19-13-6-4-3-5-7-13)8-9-15(12)16(17)11-18-2/h3-10H,11H2,1-2H3
InChIKeyBCFQPDNAVOIBIU-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.62
Rot. Bonds5

About 2-methoxy-1-(2-methyl-4-phenoxyphenyl)ethanone

2-methoxy-1-(2-methyl-4-phenoxyphenyl)ethanone (PubChem CID 82051086) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-methoxy-1-(2-methyl-4-phenoxyphenyl)ethanone.

Molecular Properties

Compound Name2-methoxy-1-(2-methyl-4-phenoxyphenyl)ethanone
PubChem CID82051086
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name2-methoxy-1-(2-methyl-4-phenoxyphenyl)ethanone
SMILESCOCC(=O)c1ccc(Oc2ccccc2)cc1C
InChIInChI=1S/C16H16O3/c1-12-10-14(19-13-6-4-3-5-7-13)8-9-15(12)16(17)11-18-2/h3-10H,11H2,1-2H3
InChIKeyBCFQPDNAVOIBIU-UHFFFAOYSA-N
XLogP3.62
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-methyl-4-phenoxyphenyl)-4-oxobutanoic acid
CID 82051081
1-(2,4-dimethylphenyl)-2-(4-phenoxyphenoxy)ethanone
CID 2462834
2-(diethylamino)-1-(2-methyl-4-phenoxyphenyl)ethanone
CID 82051101
4-(4-methoxyphenoxy)-2-methylbenzoic acid
CID 22349454
1-(2,4-diamino-3-phenoxyphenyl)-2-methoxyethanone
CID 154345418
(E)-4-(2-methyl-4-phenoxyphenyl)hex-3-enoic acid
CID 83958558
(2-methyl-4-phenoxyphenyl)-thiophen-2-ylmethanone
CID 82051105
2-methoxy-1-(5-methoxy-2-methylphenyl)ethanone
CID 19880580
3,5-dichloroaniline;2-methyl-4-phenoxybenzamide
CID 174930679
3-methoxy-1-(4-phenoxyphenyl)propan-1-one
CID 82051058
methyl 2-ethyl-4-phenoxybenzoate
CID 154641333
2-methyl-4-phenoxyphenol
CID 23089676

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(2-methyl-4-phenoxyphenyl)ethanone?
The IUPAC name of 2-methoxy-1-(2-methyl-4-phenoxyphenyl)ethanone (CID 82051086) is 2-methoxy-1-(2-methyl-4-phenoxyphenyl)ethanone.
What is the SMILES notation for 2-methoxy-1-(2-methyl-4-phenoxyphenyl)ethanone?
The canonical SMILES for 2-methoxy-1-(2-methyl-4-phenoxyphenyl)ethanone is COCC(=O)c1ccc(Oc2ccccc2)cc1C.
What is the InChIKey of 2-methoxy-1-(2-methyl-4-phenoxyphenyl)ethanone?
The InChIKey is BCFQPDNAVOIBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-12-10-14(19-13-6-4-3-5-7-13)8-9-15(12)16(17)11-18-2/h3-10H,11H2,1-2H3.
What are the key properties of 2-methoxy-1-(2-methyl-4-phenoxyphenyl)ethanone?
2-methoxy-1-(2-methyl-4-phenoxyphenyl)ethanone has a molecular weight of 256.30 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(2-methyl-4-phenoxyphenyl)ethanone is sourced from PubChem (CID 82051086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).