1-[4-[2-hydroxy-2-(3-methoxyphenyl)ethoxy]phenyl]ethanone

C17H18O4 — CID 81133388

IUPAC1-[4-[2-hydroxy-2-(3-methoxyphenyl)ethoxy]phenyl]ethanone
SMILESCOc1cccc(C(O)COc2ccc(C(C)=O)cc2)c1
InChIInChI=1S/C17H18O4/c1-12(18)13-6-8-15(9-7-13)21-11-17(19)14-4-3-5-16(10-14)20-2/h3-10,17,19H,11H2,1-2H3
InChIKeyDOPBLKODKSJAAE-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.01
Rot. Bonds6

About 1-[4-[2-hydroxy-2-(3-methoxyphenyl)ethoxy]phenyl]ethanone

1-[4-[2-hydroxy-2-(3-methoxyphenyl)ethoxy]phenyl]ethanone (PubChem CID 81133388) has the molecular formula C17H18O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-[4-[2-hydroxy-2-(3-methoxyphenyl)ethoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[2-hydroxy-2-(3-methoxyphenyl)ethoxy]phenyl]ethanone
PubChem CID81133388
Molecular FormulaC17H18O4
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Name1-[4-[2-hydroxy-2-(3-methoxyphenyl)ethoxy]phenyl]ethanone
SMILESCOc1cccc(C(O)COc2ccc(C(C)=O)cc2)c1
InChIInChI=1S/C17H18O4/c1-12(18)13-6-8-15(9-7-13)21-11-17(19)14-4-3-5-16(10-14)20-2/h3-10,17,19H,11H2,1-2H3
InChIKeyDOPBLKODKSJAAE-UHFFFAOYSA-N
XLogP3.01
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-4-hydroxy-4-(3-methoxyphenyl)butan-2-one
CID 101411477
2-(3,5-difluorophenoxy)-1-(3-methoxyphenyl)ethanol
CID 62783956
2-[3-(1-aminoethyl)phenoxy]-1-(3-methoxyphenyl)ethanol
CID 81134404
2-(4-bromo-3,5-dimethylphenoxy)-1-(3-methoxyphenyl)ethanol
CID 107725514
2-[[6-(aminomethyl)-3-pyridinyl]oxy]-1-(3-methoxyphenyl)ethanol
CID 81134459
[(2R)-2-hydroxy-2-(3-methoxyphenyl)ethyl] 2,2-dimethylpropanoate
CID 135065936
(2R)-2-ethoxy-N-hydroxy-3-[4-[(2S)-2-hydroxy-2-(3-methoxyphenyl)ethoxy]phenyl]propanamide
CID 90468822
3-[2-hydroxy-2-(3-methoxyphenyl)ethoxy]thiophene-2-carboxylic acid
CID 81134733
2-(3-methoxyphenyl)-3-phenoxypropanoic acid
CID 117243370
(2S)-2-ethoxy-3-[4-[(2R)-2-hydroxy-2-(3-methoxyphenyl)ethoxy]phenyl]-N-methoxy-N-methylpropanamide
CID 90468978
potassium 5-[[4-[(2R)-2-hydroxy-2-(3-methoxyphenyl)ethoxy]phenyl]methyl]-1,3-thiazolidin-3-ide-2,4-dione
CID 53353442
2-[2-(hydroxymethyl)phenoxy]-1-(3-methoxyphenyl)ethanol
CID 81134038

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-hydroxy-2-(3-methoxyphenyl)ethoxy]phenyl]ethanone?
The IUPAC name of 1-[4-[2-hydroxy-2-(3-methoxyphenyl)ethoxy]phenyl]ethanone (CID 81133388) is 1-[4-[2-hydroxy-2-(3-methoxyphenyl)ethoxy]phenyl]ethanone.
What is the SMILES notation for 1-[4-[2-hydroxy-2-(3-methoxyphenyl)ethoxy]phenyl]ethanone?
The canonical SMILES for 1-[4-[2-hydroxy-2-(3-methoxyphenyl)ethoxy]phenyl]ethanone is COc1cccc(C(O)COc2ccc(C(C)=O)cc2)c1.
What is the InChIKey of 1-[4-[2-hydroxy-2-(3-methoxyphenyl)ethoxy]phenyl]ethanone?
The InChIKey is DOPBLKODKSJAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O4/c1-12(18)13-6-8-15(9-7-13)21-11-17(19)14-4-3-5-16(10-14)20-2/h3-10,17,19H,11H2,1-2H3.
What are the key properties of 1-[4-[2-hydroxy-2-(3-methoxyphenyl)ethoxy]phenyl]ethanone?
1-[4-[2-hydroxy-2-(3-methoxyphenyl)ethoxy]phenyl]ethanone has a molecular weight of 286.33 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-hydroxy-2-(3-methoxyphenyl)ethoxy]phenyl]ethanone is sourced from PubChem (CID 81133388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).