1-(2-hydroxy-5-methoxyphenyl)-2-(3-methoxyphenyl)ethanone

C16H16O4 — CID 121242102

IUPAC1-(2-hydroxy-5-methoxyphenyl)-2-(3-methoxyphenyl)ethanone
SMILESCOc1cccc(CC(=O)c2cc(OC)ccc2O)c1
InChIInChI=1S/C16H16O4/c1-19-12-5-3-4-11(8-12)9-16(18)14-10-13(20-2)6-7-15(14)17/h3-8,10,17H,9H2,1-2H3
InChIKeyGPBKAPGBETVSQI-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.83
Rot. Bonds5

About 1-(2-hydroxy-5-methoxyphenyl)-2-(3-methoxyphenyl)ethanone

1-(2-hydroxy-5-methoxyphenyl)-2-(3-methoxyphenyl)ethanone (PubChem CID 121242102) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is 1-(2-hydroxy-5-methoxyphenyl)-2-(3-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(2-hydroxy-5-methoxyphenyl)-2-(3-methoxyphenyl)ethanone
PubChem CID121242102
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Name1-(2-hydroxy-5-methoxyphenyl)-2-(3-methoxyphenyl)ethanone
SMILESCOc1cccc(CC(=O)c2cc(OC)ccc2O)c1
InChIInChI=1S/C16H16O4/c1-19-12-5-3-4-11(8-12)9-16(18)14-10-13(20-2)6-7-15(14)17/h3-8,10,17H,9H2,1-2H3
InChIKeyGPBKAPGBETVSQI-UHFFFAOYSA-N
XLogP2.83
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-bromo-5-methoxyphenyl)-2-(3-methoxyphenyl)ethanone
CID 61079528
1-(2,4-dihydroxyphenyl)-2-(3-methoxyphenyl)ethanone
CID 15126648
1-(2-fluoro-4-methoxyphenyl)-2-(3-methoxyphenyl)ethanone
CID 43561129
1-(2-amino-3-methoxyphenyl)-2-(3-methoxyphenyl)ethanone
CID 107469155
2-(3-methoxyphenyl)-1-(2-methylsulfanylphenyl)ethanone
CID 79217516
1-(2,4-difluorophenyl)-2-(3-methoxyphenyl)ethanone
CID 43337712
1-(5-fluoro-2-methoxyphenyl)-2-(3-methoxyphenyl)ethanone
CID 43161531
1-(2-bromo-5-methylphenyl)-2-(3-methoxyphenyl)ethanone
CID 81110990
1-(4-chloro-2-fluorophenyl)-2-(3-methoxyphenyl)ethanone
CID 61077697
2-(3-methoxyphenyl)-1-[2-(trifluoromethyl)phenyl]ethanone
CID 61078244
1-(4-bromo-2-methylphenyl)-2-(3-methoxyphenyl)ethanone
CID 61078247
1-(5-bromo-2-methylphenyl)-2-(3-methoxyphenyl)ethanone
CID 65308121

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-5-methoxyphenyl)-2-(3-methoxyphenyl)ethanone?
The IUPAC name of 1-(2-hydroxy-5-methoxyphenyl)-2-(3-methoxyphenyl)ethanone (CID 121242102) is 1-(2-hydroxy-5-methoxyphenyl)-2-(3-methoxyphenyl)ethanone.
What is the SMILES notation for 1-(2-hydroxy-5-methoxyphenyl)-2-(3-methoxyphenyl)ethanone?
The canonical SMILES for 1-(2-hydroxy-5-methoxyphenyl)-2-(3-methoxyphenyl)ethanone is COc1cccc(CC(=O)c2cc(OC)ccc2O)c1.
What is the InChIKey of 1-(2-hydroxy-5-methoxyphenyl)-2-(3-methoxyphenyl)ethanone?
The InChIKey is GPBKAPGBETVSQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4/c1-19-12-5-3-4-11(8-12)9-16(18)14-10-13(20-2)6-7-15(14)17/h3-8,10,17H,9H2,1-2H3.
What are the key properties of 1-(2-hydroxy-5-methoxyphenyl)-2-(3-methoxyphenyl)ethanone?
1-(2-hydroxy-5-methoxyphenyl)-2-(3-methoxyphenyl)ethanone has a molecular weight of 272.30 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-5-methoxyphenyl)-2-(3-methoxyphenyl)ethanone is sourced from PubChem (CID 121242102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).