2-hydroxy-1-(2-hydroxy-4-methylphenyl)ethanone

C9H10O3 — CID 68538226

IUPAC2-hydroxy-1-(2-hydroxy-4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)CO)c(O)c1
InChIInChI=1S/C9H10O3/c1-6-2-3-7(8(11)4-6)9(12)5-10/h2-4,10-11H,5H2,1H3
InChIKeyCITWFSPTRYYDEG-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.88
Rot. Bonds2

About 2-hydroxy-1-(2-hydroxy-4-methylphenyl)ethanone

2-hydroxy-1-(2-hydroxy-4-methylphenyl)ethanone (PubChem CID 68538226) has the molecular formula C9H10O3 and a molecular weight of 166.18 g/mol. Its IUPAC name is 2-hydroxy-1-(2-hydroxy-4-methylphenyl)ethanone.

Molecular Properties

Compound Name2-hydroxy-1-(2-hydroxy-4-methylphenyl)ethanone
PubChem CID68538226
Molecular FormulaC9H10O3
Molecular Weight166.18 g/mol
Exact Mass166.06
IUPAC Name2-hydroxy-1-(2-hydroxy-4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)CO)c(O)c1
InChIInChI=1S/C9H10O3/c1-6-2-3-7(8(11)4-6)9(12)5-10/h2-4,10-11H,5H2,1H3
InChIKeyCITWFSPTRYYDEG-UHFFFAOYSA-N
XLogP0.88
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(2-hydroxy-4-methylphenyl)propan-1-one
CID 82600154
1-(2,4-dihydroxyphenyl)-2-hydroxyethanone
CID 11715230
ethane;2-hydroxy-4-methylbenzoic acid
CID 145280120
1-(2-amino-5-methylphenyl)-2-hydroxyethanone
CID 56999541
methyl 5-(2-hydroxy-4-methylphenyl)-3,5-dioxopentanoate
CID 19913878
12-bromo-1-(2-hydroxy-4-methylphenyl)dodecan-1-one
CID 11696351
1-(4-bromophenyl)-3-(2-hydroxy-4-methylphenyl)propane-1,3-dione
CID 877755
1-(2-hydroxy-4-methylphenyl)-3,5,5-trimethylhexan-1-one
CID 71365800
(2,4-dimethylphenyl)-(2-hydroxy-4-methylphenyl)methanone
CID 22951592
amino 2-hydroxy-4-methylbenzoate
CID 174368722
N-ethyl-2-hydroxy-N,4-dimethylbenzamide
CID 43243493
(2-amino-2-oxoethyl) 2-hydroxy-4-methylbenzoate
CID 2469983

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-(2-hydroxy-4-methylphenyl)ethanone?
The IUPAC name of 2-hydroxy-1-(2-hydroxy-4-methylphenyl)ethanone (CID 68538226) is 2-hydroxy-1-(2-hydroxy-4-methylphenyl)ethanone.
What is the SMILES notation for 2-hydroxy-1-(2-hydroxy-4-methylphenyl)ethanone?
The canonical SMILES for 2-hydroxy-1-(2-hydroxy-4-methylphenyl)ethanone is Cc1ccc(C(=O)CO)c(O)c1.
What is the InChIKey of 2-hydroxy-1-(2-hydroxy-4-methylphenyl)ethanone?
The InChIKey is CITWFSPTRYYDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O3/c1-6-2-3-7(8(11)4-6)9(12)5-10/h2-4,10-11H,5H2,1H3.
What are the key properties of 2-hydroxy-1-(2-hydroxy-4-methylphenyl)ethanone?
2-hydroxy-1-(2-hydroxy-4-methylphenyl)ethanone has a molecular weight of 166.18 g/mol, XLogP of 0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-(2-hydroxy-4-methylphenyl)ethanone is sourced from PubChem (CID 68538226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).