2-bromo-6-(3-hydroxy-2-methylphenoxy)benzonitrile

C14H10BrNO2 — CID 114887520

IUPAC2-bromo-6-(3-hydroxy-2-methylphenoxy)benzonitrile
SMILESCc1c(O)cccc1Oc1cccc(Br)c1C#N
InChIInChI=1S/C14H10BrNO2/c1-9-12(17)5-3-6-13(9)18-14-7-2-4-11(15)10(14)8-16/h2-7,17H,1H3
InChIKeyJCXLVOWFCOFLOS-UHFFFAOYSA-N
MW304.14 g/mol
LogP4.13
Rot. Bonds2

About 2-bromo-6-(3-hydroxy-2-methylphenoxy)benzonitrile

2-bromo-6-(3-hydroxy-2-methylphenoxy)benzonitrile (PubChem CID 114887520) has the molecular formula C14H10BrNO2 and a molecular weight of 304.14 g/mol. Its IUPAC name is 2-bromo-6-(3-hydroxy-2-methylphenoxy)benzonitrile.

Molecular Properties

Compound Name2-bromo-6-(3-hydroxy-2-methylphenoxy)benzonitrile
PubChem CID114887520
Molecular FormulaC14H10BrNO2
Molecular Weight304.14 g/mol
Exact Mass302.99
IUPAC Name2-bromo-6-(3-hydroxy-2-methylphenoxy)benzonitrile
SMILESCc1c(O)cccc1Oc1cccc(Br)c1C#N
InChIInChI=1S/C14H10BrNO2/c1-9-12(17)5-3-6-13(9)18-14-7-2-4-11(15)10(14)8-16/h2-7,17H,1H3
InChIKeyJCXLVOWFCOFLOS-UHFFFAOYSA-N
XLogP4.13
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.14
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-6-(2-bromophenoxy)benzonitrile
CID 114881565
2-(4-amino-2,5-dimethylphenoxy)-6-bromobenzonitrile
CID 114884583
2-bromo-6-(2-methyl-5-propan-2-ylphenoxy)benzonitrile
CID 114881626
4-chloro-2-(3-hydroxy-2-methylphenoxy)benzonitrile
CID 63083316
2-bromo-6-(4-bromo-2-chlorophenoxy)benzonitrile
CID 114881579
2,6-dibromobenzonitrile
CID 12683209
2-bromo-6-(3-ethylphenoxy)benzonitrile
CID 114881566
2-bromo-6-naphthalen-2-yloxybenzonitrile
CID 114881557
2-[4-(aminomethyl)phenoxy]-6-bromobenzonitrile
CID 106485665
3-(3-hydroxy-2-methylphenoxy)pyridazine-4-carbonitrile
CID 80516417
2-bromo-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)benzonitrile
CID 86811064
2-bromo-6-(2-methoxy-5-nitrophenoxy)benzonitrile
CID 114881636

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(3-hydroxy-2-methylphenoxy)benzonitrile?
The IUPAC name of 2-bromo-6-(3-hydroxy-2-methylphenoxy)benzonitrile (CID 114887520) is 2-bromo-6-(3-hydroxy-2-methylphenoxy)benzonitrile.
What is the SMILES notation for 2-bromo-6-(3-hydroxy-2-methylphenoxy)benzonitrile?
The canonical SMILES for 2-bromo-6-(3-hydroxy-2-methylphenoxy)benzonitrile is Cc1c(O)cccc1Oc1cccc(Br)c1C#N.
What is the InChIKey of 2-bromo-6-(3-hydroxy-2-methylphenoxy)benzonitrile?
The InChIKey is JCXLVOWFCOFLOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrNO2/c1-9-12(17)5-3-6-13(9)18-14-7-2-4-11(15)10(14)8-16/h2-7,17H,1H3.
What are the key properties of 2-bromo-6-(3-hydroxy-2-methylphenoxy)benzonitrile?
2-bromo-6-(3-hydroxy-2-methylphenoxy)benzonitrile has a molecular weight of 304.14 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(3-hydroxy-2-methylphenoxy)benzonitrile is sourced from PubChem (CID 114887520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).