2-(2,4-dihydroxy-3-methylphenyl)acetonitrile

C9H9NO2 — CID 84764573

IUPAC2-(2,4-dihydroxy-3-methylphenyl)acetonitrile
SMILESCc1c(O)ccc(CC#N)c1O
InChIInChI=1S/C9H9NO2/c1-6-8(11)3-2-7(4-5-10)9(6)12/h2-3,11-12H,4H2,1H3
InChIKeyVZSIARNXMZLVFM-UHFFFAOYSA-N
MW163.18 g/mol
LogP1.47
Rot. Bonds1

About 2-(2,4-dihydroxy-3-methylphenyl)acetonitrile

2-(2,4-dihydroxy-3-methylphenyl)acetonitrile (PubChem CID 84764573) has the molecular formula C9H9NO2 and a molecular weight of 163.18 g/mol. Its IUPAC name is 2-(2,4-dihydroxy-3-methylphenyl)acetonitrile.

Molecular Properties

Compound Name2-(2,4-dihydroxy-3-methylphenyl)acetonitrile
PubChem CID84764573
Molecular FormulaC9H9NO2
Molecular Weight163.18 g/mol
Exact Mass163.06
IUPAC Name2-(2,4-dihydroxy-3-methylphenyl)acetonitrile
SMILESCc1c(O)ccc(CC#N)c1O
InChIInChI=1S/C9H9NO2/c1-6-8(11)3-2-7(4-5-10)9(6)12/h2-3,11-12H,4H2,1H3
InChIKeyVZSIARNXMZLVFM-UHFFFAOYSA-N
XLogP1.47
TPSA64.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-2-methylbenzene-1,3-diol
CID 82502588
2-(3-hydroxy-2,4-dimethylphenyl)acetonitrile
CID 117276124
2-(3,4-dihydroxy-2-iodophenyl)acetonitrile
CID 15133321
2,3-dimethylbenzene-1,4-diol;hydrate
CID 172699169
2-(3-bromo-2-fluoro-4-hydroxyphenyl)acetonitrile
CID 84793427
2-methyl-4-[(E)-3-phenylprop-2-enyl]benzene-1,3-diol
CID 14224897
2-(3-bromo-2-hydroxy-4,5-dimethylphenyl)acetonitrile
CID 84800270
2-(3-hydroxy-4-methyl-1-benzothiophen-7-yl)acetonitrile
CID 131000567
2-(4-hydroxy-2,3-dihydro-1H-inden-5-yl)acetonitrile
CID 117277009
2-(4-hydroxy-5-methoxy-2,3-dimethylphenyl)acetonitrile
CID 117282299
4-[(2-hydroxy-3,5,6-trimethylphenyl)methyl]-2-methylbenzene-1,3-diol
CID 155168572
2-(3,4-dihydroxy-1-benzothiophen-7-yl)acetonitrile
CID 130792303

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dihydroxy-3-methylphenyl)acetonitrile?
The IUPAC name of 2-(2,4-dihydroxy-3-methylphenyl)acetonitrile (CID 84764573) is 2-(2,4-dihydroxy-3-methylphenyl)acetonitrile.
What is the SMILES notation for 2-(2,4-dihydroxy-3-methylphenyl)acetonitrile?
The canonical SMILES for 2-(2,4-dihydroxy-3-methylphenyl)acetonitrile is Cc1c(O)ccc(CC#N)c1O.
What is the InChIKey of 2-(2,4-dihydroxy-3-methylphenyl)acetonitrile?
The InChIKey is VZSIARNXMZLVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2/c1-6-8(11)3-2-7(4-5-10)9(6)12/h2-3,11-12H,4H2,1H3.
What are the key properties of 2-(2,4-dihydroxy-3-methylphenyl)acetonitrile?
2-(2,4-dihydroxy-3-methylphenyl)acetonitrile has a molecular weight of 163.18 g/mol, XLogP of 1.47, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dihydroxy-3-methylphenyl)acetonitrile is sourced from PubChem (CID 84764573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).