4-chloro-2-(3-hydroxy-2-methylphenoxy)benzonitrile

C14H10ClNO2 — CID 63083316

IUPAC4-chloro-2-(3-hydroxy-2-methylphenoxy)benzonitrile
SMILESCc1c(O)cccc1Oc1cc(Cl)ccc1C#N
InChIInChI=1S/C14H10ClNO2/c1-9-12(17)3-2-4-13(9)18-14-7-11(15)6-5-10(14)8-16/h2-7,17H,1H3
InChIKeySRFXPHNQGCDMHQ-UHFFFAOYSA-N
MW259.69 g/mol
LogP4.02
Rot. Bonds2

About 4-chloro-2-(3-hydroxy-2-methylphenoxy)benzonitrile

4-chloro-2-(3-hydroxy-2-methylphenoxy)benzonitrile (PubChem CID 63083316) has the molecular formula C14H10ClNO2 and a molecular weight of 259.69 g/mol. Its IUPAC name is 4-chloro-2-(3-hydroxy-2-methylphenoxy)benzonitrile.

Molecular Properties

Compound Name4-chloro-2-(3-hydroxy-2-methylphenoxy)benzonitrile
PubChem CID63083316
Molecular FormulaC14H10ClNO2
Molecular Weight259.69 g/mol
Exact Mass259.04
IUPAC Name4-chloro-2-(3-hydroxy-2-methylphenoxy)benzonitrile
SMILESCc1c(O)cccc1Oc1cc(Cl)ccc1C#N
InChIInChI=1S/C14H10ClNO2/c1-9-12(17)3-2-4-13(9)18-14-7-11(15)6-5-10(14)8-16/h2-7,17H,1H3
InChIKeySRFXPHNQGCDMHQ-UHFFFAOYSA-N
XLogP4.02
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.69
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-(2,3-dimethylphenoxy)benzonitrile
CID 63511378
2-(2-amino-3-methylphenoxy)-5-chlorobenzonitrile
CID 62493170
4-chloro-2-(2-methylquinolin-8-yl)oxybenzonitrile
CID 63094434
2-(4-chloro-2-methylphenoxy)benzonitrile
CID 29271397
4-chloro-2-phenoxybenzonitrile
CID 63093062
2-(4-amino-2,5-dimethylphenoxy)-4-chlorobenzonitrile
CID 55159990
3-(3-hydroxy-2-methylphenoxy)pyridazine-4-carbonitrile
CID 80516417
5-chloro-2-(2-methylquinolin-8-yl)oxybenzonitrile
CID 62493743
2-bromo-6-(3-hydroxy-2-methylphenoxy)benzonitrile
CID 114887520
2-(5-chloro-2-iodophenoxy)benzonitrile
CID 142659292
5-chloro-2-(3-chlorophenoxy)benzonitrile
CID 63512022
5-chloro-2-(2-fluoro-5-methylphenoxy)benzonitrile
CID 64855399

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3-hydroxy-2-methylphenoxy)benzonitrile?
The IUPAC name of 4-chloro-2-(3-hydroxy-2-methylphenoxy)benzonitrile (CID 63083316) is 4-chloro-2-(3-hydroxy-2-methylphenoxy)benzonitrile.
What is the SMILES notation for 4-chloro-2-(3-hydroxy-2-methylphenoxy)benzonitrile?
The canonical SMILES for 4-chloro-2-(3-hydroxy-2-methylphenoxy)benzonitrile is Cc1c(O)cccc1Oc1cc(Cl)ccc1C#N.
What is the InChIKey of 4-chloro-2-(3-hydroxy-2-methylphenoxy)benzonitrile?
The InChIKey is SRFXPHNQGCDMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO2/c1-9-12(17)3-2-4-13(9)18-14-7-11(15)6-5-10(14)8-16/h2-7,17H,1H3.
What are the key properties of 4-chloro-2-(3-hydroxy-2-methylphenoxy)benzonitrile?
4-chloro-2-(3-hydroxy-2-methylphenoxy)benzonitrile has a molecular weight of 259.69 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3-hydroxy-2-methylphenoxy)benzonitrile is sourced from PubChem (CID 63083316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).