2-(5-bromo-2-hydroxy-3,6-dimethylphenyl)acetonitrile

C10H10BrNO — CID 84800308

IUPAC2-(5-bromo-2-hydroxy-3,6-dimethylphenyl)acetonitrile
SMILESCc1cc(Br)c(C)c(CC#N)c1O
InChIInChI=1S/C10H10BrNO/c1-6-5-9(11)7(2)8(3-4-12)10(6)13/h5,13H,3H2,1-2H3
InChIKeyOCLZWKCXQBHYCA-UHFFFAOYSA-N
MW240.10 g/mol
LogP2.84
Rot. Bonds1

About 2-(5-bromo-2-hydroxy-3,6-dimethylphenyl)acetonitrile

2-(5-bromo-2-hydroxy-3,6-dimethylphenyl)acetonitrile (PubChem CID 84800308) has the molecular formula C10H10BrNO and a molecular weight of 240.10 g/mol. Its IUPAC name is 2-(5-bromo-2-hydroxy-3,6-dimethylphenyl)acetonitrile.

Molecular Properties

Compound Name2-(5-bromo-2-hydroxy-3,6-dimethylphenyl)acetonitrile
PubChem CID84800308
Molecular FormulaC10H10BrNO
Molecular Weight240.10 g/mol
Exact Mass238.99
IUPAC Name2-(5-bromo-2-hydroxy-3,6-dimethylphenyl)acetonitrile
SMILESCc1cc(Br)c(C)c(CC#N)c1O
InChIInChI=1S/C10H10BrNO/c1-6-5-9(11)7(2)8(3-4-12)10(6)13/h5,13H,3H2,1-2H3
InChIKeyOCLZWKCXQBHYCA-UHFFFAOYSA-N
XLogP2.84
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.10
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-hydroxy-2,4,6-trimethylphenyl)acetonitrile
CID 84766939
2-(4-bromo-2-methoxy-3,6-dimethylphenyl)acetonitrile
CID 84804582
2-(2-aminopropyl)-4-bromo-3,6-dimethylphenol
CID 117398502
2-(3-bromo-4-hydroxy-2,5,6-trimethylphenyl)acetonitrile
CID 115110966
2-(3-bromo-2-hydroxy-4,5-dimethylphenyl)acetonitrile
CID 84800270
2-(7-bromo-6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)acetonitrile
CID 117423660
2-(5-bromo-3-fluoro-2-methoxy-6-methylphenyl)acetonitrile
CID 84805658
2-(3-chloro-2-hydroxy-4,6-dimethylphenyl)acetonitrile
CID 84773777
2-(2,4,6-trimethylphenyl)acetonitrile
CID 520698
2-(3-bromo-6-methoxy-2-methylphenyl)acetonitrile
CID 84800303
2-(2-bromo-3,6-dimethylphenyl)acetonitrile
CID 54544905
2-(2-bromo-3-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)acetonitrile
CID 84811733

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-hydroxy-3,6-dimethylphenyl)acetonitrile?
The IUPAC name of 2-(5-bromo-2-hydroxy-3,6-dimethylphenyl)acetonitrile (CID 84800308) is 2-(5-bromo-2-hydroxy-3,6-dimethylphenyl)acetonitrile.
What is the SMILES notation for 2-(5-bromo-2-hydroxy-3,6-dimethylphenyl)acetonitrile?
The canonical SMILES for 2-(5-bromo-2-hydroxy-3,6-dimethylphenyl)acetonitrile is Cc1cc(Br)c(C)c(CC#N)c1O.
What is the InChIKey of 2-(5-bromo-2-hydroxy-3,6-dimethylphenyl)acetonitrile?
The InChIKey is OCLZWKCXQBHYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO/c1-6-5-9(11)7(2)8(3-4-12)10(6)13/h5,13H,3H2,1-2H3.
What are the key properties of 2-(5-bromo-2-hydroxy-3,6-dimethylphenyl)acetonitrile?
2-(5-bromo-2-hydroxy-3,6-dimethylphenyl)acetonitrile has a molecular weight of 240.10 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-hydroxy-3,6-dimethylphenyl)acetonitrile is sourced from PubChem (CID 84800308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).