2-[2-(hydroxymethyl)phenoxy]-1-(2-methylphenyl)ethanone

C16H16O3 — CID 63654140

IUPAC2-[2-(hydroxymethyl)phenoxy]-1-(2-methylphenyl)ethanone
SMILESCc1ccccc1C(=O)COc1ccccc1CO
InChIInChI=1S/C16H16O3/c1-12-6-2-4-8-14(12)15(18)11-19-16-9-5-3-7-13(16)10-17/h2-9,17H,10-11H2,1H3
InChIKeyDJBFVSXSKHHFPN-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.75
Rot. Bonds5

About 2-[2-(hydroxymethyl)phenoxy]-1-(2-methylphenyl)ethanone

2-[2-(hydroxymethyl)phenoxy]-1-(2-methylphenyl)ethanone (PubChem CID 63654140) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)phenoxy]-1-(2-methylphenyl)ethanone.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)phenoxy]-1-(2-methylphenyl)ethanone
PubChem CID63654140
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name2-[2-(hydroxymethyl)phenoxy]-1-(2-methylphenyl)ethanone
SMILESCc1ccccc1C(=O)COc1ccccc1CO
InChIInChI=1S/C16H16O3/c1-12-6-2-4-8-14(12)15(18)11-19-16-9-5-3-7-13(16)10-17/h2-9,17H,10-11H2,1H3
InChIKeyDJBFVSXSKHHFPN-UHFFFAOYSA-N
XLogP2.75
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-difluorophenoxy)-1-(2-methylphenyl)ethanone
CID 55169275
1-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-[2-(hydroxymethyl)phenoxy]ethanone
CID 110891953
[2-[2-(2-methylphenoxy)ethoxy]phenyl]methanol
CID 86767907
1-[2-(hydroxymethyl)phenoxy]-3-methoxypropan-2-one
CID 107508156
1-(2-bromophenyl)-2-(2-ethylphenoxy)ethanone
CID 43412397
1-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]-2-[2-(hydroxymethyl)phenoxy]ethanone
CID 78880776
1-(2-chlorophenyl)-2-[2-(2-hydroxyethyl)phenoxy]ethanone
CID 107712924
1,2-bis(2-methylphenyl)ethanone
CID 11345119
1-(2-fluorophenyl)-2-[2-(2-hydroxyethyl)phenoxy]ethanone
CID 107712927
2-(1-iodoethoxy)-1-(2-methylphenyl)ethanone
CID 166958709
1-(2-ethoxyphenyl)-2-(2-fluoro-3-methylphenoxy)ethanone
CID 107659470
1-(3-bromothiophen-2-yl)-2-[2-(hydroxymethyl)phenoxy]ethanone
CID 63654295

Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)phenoxy]-1-(2-methylphenyl)ethanone?
The IUPAC name of 2-[2-(hydroxymethyl)phenoxy]-1-(2-methylphenyl)ethanone (CID 63654140) is 2-[2-(hydroxymethyl)phenoxy]-1-(2-methylphenyl)ethanone.
What is the SMILES notation for 2-[2-(hydroxymethyl)phenoxy]-1-(2-methylphenyl)ethanone?
The canonical SMILES for 2-[2-(hydroxymethyl)phenoxy]-1-(2-methylphenyl)ethanone is Cc1ccccc1C(=O)COc1ccccc1CO.
What is the InChIKey of 2-[2-(hydroxymethyl)phenoxy]-1-(2-methylphenyl)ethanone?
The InChIKey is DJBFVSXSKHHFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-12-6-2-4-8-14(12)15(18)11-19-16-9-5-3-7-13(16)10-17/h2-9,17H,10-11H2,1H3.
What are the key properties of 2-[2-(hydroxymethyl)phenoxy]-1-(2-methylphenyl)ethanone?
2-[2-(hydroxymethyl)phenoxy]-1-(2-methylphenyl)ethanone has a molecular weight of 256.30 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)phenoxy]-1-(2-methylphenyl)ethanone is sourced from PubChem (CID 63654140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).