2-hydroxy-2-[3-(hydroxymethyl)phenyl]-1-phenylethanone

C15H14O3 — CID 70540127

IUPAC2-hydroxy-2-[3-(hydroxymethyl)phenyl]-1-phenylethanone
SMILESO=C(c1ccccc1)C(O)c1cccc(CO)c1
InChIInChI=1S/C15H14O3/c16-10-11-5-4-8-13(9-11)15(18)14(17)12-6-2-1-3-7-12/h1-9,15-16,18H,10H2
InChIKeyWJQIDHNJVXDQEE-UHFFFAOYSA-N
MW242.27 g/mol
LogP2.10
Rot. Bonds4

About 2-hydroxy-2-[3-(hydroxymethyl)phenyl]-1-phenylethanone

2-hydroxy-2-[3-(hydroxymethyl)phenyl]-1-phenylethanone (PubChem CID 70540127) has the molecular formula C15H14O3 and a molecular weight of 242.27 g/mol. Its IUPAC name is 2-hydroxy-2-[3-(hydroxymethyl)phenyl]-1-phenylethanone.

Molecular Properties

Compound Name2-hydroxy-2-[3-(hydroxymethyl)phenyl]-1-phenylethanone
PubChem CID70540127
Molecular FormulaC15H14O3
Molecular Weight242.27 g/mol
Exact Mass242.09
IUPAC Name2-hydroxy-2-[3-(hydroxymethyl)phenyl]-1-phenylethanone
SMILESO=C(c1ccccc1)C(O)c1cccc(CO)c1
InChIInChI=1S/C15H14O3/c16-10-11-5-4-8-13(9-11)15(18)14(17)12-6-2-1-3-7-12/h1-9,15-16,18H,10H2
InChIKeyWJQIDHNJVXDQEE-UHFFFAOYSA-N
XLogP2.10
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-1,2-diphenylethanone
CID 159399559
[3-(hydroxymethyl)phenyl]-[3-[hydroxy(phenyl)methyl]phenyl]methanone
CID 101432488
formaldehyde;bis(2-hydroxy-1,2-diphenylethanone)
CID 174440021
deuterium monohydride;2-hydroxy-1,2-diphenylethanone
CID 158356694
2-hydroxy-1,2-diphenylethanone;propanoic acid
CID 159329247
2-hydroxy-1,2-diphenylethanone;silyloxysilane
CID 173133276
2-[3-[[4-(4,5-difluoro-2-sulfanylphenyl)phenoxy]methyl]phenyl]-2-hydroxy-1-phenylethanone
CID 118913564
2-hydroxy-1,2-diphenylethanone;1-phenylpropan-1-one
CID 174848942
2-(3,4-difluorophenyl)-2-hydroxy-1-phenylethanone
CID 22004300
ethoxymethanol;2-hydroxy-1,2-diphenylethanone
CID 69429454
2-hydroxy-1,2-diphenylethanone;prop-2-enoic acid
CID 57368066
2-[4-(2-bromoethyl)phenyl]-2-hydroxy-1-phenylethanone
CID 86260257

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-[3-(hydroxymethyl)phenyl]-1-phenylethanone?
The IUPAC name of 2-hydroxy-2-[3-(hydroxymethyl)phenyl]-1-phenylethanone (CID 70540127) is 2-hydroxy-2-[3-(hydroxymethyl)phenyl]-1-phenylethanone.
What is the SMILES notation for 2-hydroxy-2-[3-(hydroxymethyl)phenyl]-1-phenylethanone?
The canonical SMILES for 2-hydroxy-2-[3-(hydroxymethyl)phenyl]-1-phenylethanone is O=C(c1ccccc1)C(O)c1cccc(CO)c1.
What is the InChIKey of 2-hydroxy-2-[3-(hydroxymethyl)phenyl]-1-phenylethanone?
The InChIKey is WJQIDHNJVXDQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3/c16-10-11-5-4-8-13(9-11)15(18)14(17)12-6-2-1-3-7-12/h1-9,15-16,18H,10H2.
What are the key properties of 2-hydroxy-2-[3-(hydroxymethyl)phenyl]-1-phenylethanone?
2-hydroxy-2-[3-(hydroxymethyl)phenyl]-1-phenylethanone has a molecular weight of 242.27 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-[3-(hydroxymethyl)phenyl]-1-phenylethanone is sourced from PubChem (CID 70540127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).