2-chloro-4-hydroxy-5-methylbenzonitrile;ethane

C10H12ClNO — CID 145267621

IUPAC2-chloro-4-hydroxy-5-methylbenzonitrile;ethane
SMILESCC.Cc1cc(C#N)c(Cl)cc1O
InChIInChI=1S/C8H6ClNO.C2H6/c1-5-2-6(4-10)7(9)3-8(5)11;1-2/h2-3,11H,1H3;1-2H3
InChIKeyLLFFGKULJMJBRQ-UHFFFAOYSA-N
MW197.66 g/mol
LogP3.25
Rot. Bonds

About 2-chloro-4-hydroxy-5-methylbenzonitrile;ethane

2-chloro-4-hydroxy-5-methylbenzonitrile;ethane (PubChem CID 145267621) has the molecular formula C10H12ClNO and a molecular weight of 197.66 g/mol. Its IUPAC name is 2-chloro-4-hydroxy-5-methylbenzonitrile;ethane.

Molecular Properties

Compound Name2-chloro-4-hydroxy-5-methylbenzonitrile;ethane
PubChem CID145267621
Molecular FormulaC10H12ClNO
Molecular Weight197.66 g/mol
Exact Mass197.06
IUPAC Name2-chloro-4-hydroxy-5-methylbenzonitrile;ethane
SMILESCC.Cc1cc(C#N)c(Cl)cc1O
InChIInChI=1S/C8H6ClNO.C2H6/c1-5-2-6(4-10)7(9)3-8(5)11;1-2/h2-3,11H,1H3;1-2H3
InChIKeyLLFFGKULJMJBRQ-UHFFFAOYSA-N
XLogP3.25
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.66
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-5-hydroxy-4-methylbenzonitrile;ethane
CID 143940980
4-hydroxy-5-methyl-2-propan-2-ylbenzonitrile
CID 130033869
2-chloro-4-(difluoromethyl)-5-methylbenzonitrile
CID 122646546
5-acetyl-2-chloro-4-methylbenzonitrile
CID 55255005
4-[(1R)-1-aminoethyl]-2-chloro-5-hydroxybenzonitrile
CID 130634457
5-bromo-4-chloro-2-methylbenzonitrile
CID 131441428
5-bromo-2-hydroxy-4-methylbenzonitrile
CID 67186294
4-bromo-5-hydroxy-2-methylbenzonitrile
CID 131314645
5-chloro-2-fluoro-4-methylbenzonitrile;ethane
CID 144708664
5-chloro-4-(difluoromethyl)-2-methylphenol;ethane
CID 163241199
(2-chloro-4-hydroxy-5-methylphenyl)boronic acid
CID 164895580
4-acetyl-5-bromo-2-chlorobenzonitrile
CID 171001485

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-hydroxy-5-methylbenzonitrile;ethane?
The IUPAC name of 2-chloro-4-hydroxy-5-methylbenzonitrile;ethane (CID 145267621) is 2-chloro-4-hydroxy-5-methylbenzonitrile;ethane.
What is the SMILES notation for 2-chloro-4-hydroxy-5-methylbenzonitrile;ethane?
The canonical SMILES for 2-chloro-4-hydroxy-5-methylbenzonitrile;ethane is CC.Cc1cc(C#N)c(Cl)cc1O.
What is the InChIKey of 2-chloro-4-hydroxy-5-methylbenzonitrile;ethane?
The InChIKey is LLFFGKULJMJBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClNO.C2H6/c1-5-2-6(4-10)7(9)3-8(5)11;1-2/h2-3,11H,1H3;1-2H3.
What are the key properties of 2-chloro-4-hydroxy-5-methylbenzonitrile;ethane?
2-chloro-4-hydroxy-5-methylbenzonitrile;ethane has a molecular weight of 197.66 g/mol, XLogP of 3.25, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-hydroxy-5-methylbenzonitrile;ethane is sourced from PubChem (CID 145267621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).