1-(3-chloro-2,4-dihydroxy-5-methylphenyl)cyclopropane-1-carbonitrile

C11H10ClNO2 — CID 84789379

IUPAC1-(3-chloro-2,4-dihydroxy-5-methylphenyl)cyclopropane-1-carbonitrile
SMILESCc1cc(C2(C#N)CC2)c(O)c(Cl)c1O
InChIInChI=1S/C11H10ClNO2/c1-6-4-7(11(5-13)2-3-11)10(15)8(12)9(6)14/h4,14-15H,2-3H2,1H3
InChIKeySLBBQPNJKTXLLB-UHFFFAOYSA-N
MW223.66 g/mol
LogP2.61
Rot. Bonds1

About 1-(3-chloro-2,4-dihydroxy-5-methylphenyl)cyclopropane-1-carbonitrile

1-(3-chloro-2,4-dihydroxy-5-methylphenyl)cyclopropane-1-carbonitrile (PubChem CID 84789379) has the molecular formula C11H10ClNO2 and a molecular weight of 223.66 g/mol. Its IUPAC name is 1-(3-chloro-2,4-dihydroxy-5-methylphenyl)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-(3-chloro-2,4-dihydroxy-5-methylphenyl)cyclopropane-1-carbonitrile
PubChem CID84789379
Molecular FormulaC11H10ClNO2
Molecular Weight223.66 g/mol
Exact Mass223.04
IUPAC Name1-(3-chloro-2,4-dihydroxy-5-methylphenyl)cyclopropane-1-carbonitrile
SMILESCc1cc(C2(C#N)CC2)c(O)c(Cl)c1O
InChIInChI=1S/C11H10ClNO2/c1-6-4-7(11(5-13)2-3-11)10(15)8(12)9(6)14/h4,14-15H,2-3H2,1H3
InChIKeySLBBQPNJKTXLLB-UHFFFAOYSA-N
XLogP2.61
TPSA64.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4-dihydroxy-6-methylbenzonitrile
CID 72194942
5-chloro-3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4-dihydroxybenzonitrile
CID 145986968
3-Chloro-5-cyclohexyl-2-hydroxybenzonitrile
CID 3827412
2-Ethyl-4-chloro-6-hexyl-resorcinol
CID 129718528
2-(3-Chloro-5-fluoro-2,4-dihydroxyphenyl)acetonitrile
CID 84776457
2-(5-Chloro-3-fluoro-2,4-dihydroxyphenyl)acetonitrile
CID 84776458
1-(3-Fluoro-2,4-dihydroxy-5-methylphenyl)cyclopropane-1-carbonitrile
CID 84779376
2-(5-Chloro-2-fluoro-6-hydroxy-3-methylphenyl)propanenitrile
CID 84783023
3-(5-Chloro-2-fluoro-6-hydroxy-3-methylphenyl)propanenitrile
CID 84783033
2-(3-Chloro-5-fluoro-2,4-dihydroxyphenyl)propanenitrile
CID 84784266
2-(5-Chloro-3-fluoro-2,4-dihydroxyphenyl)propanenitrile
CID 84784267
3-(3-Chloro-5-fluoro-2,4-dihydroxyphenyl)propanenitrile
CID 84784269

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2,4-dihydroxy-5-methylphenyl)cyclopropane-1-carbonitrile?
The IUPAC name of 1-(3-chloro-2,4-dihydroxy-5-methylphenyl)cyclopropane-1-carbonitrile (CID 84789379) is 1-(3-chloro-2,4-dihydroxy-5-methylphenyl)cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-(3-chloro-2,4-dihydroxy-5-methylphenyl)cyclopropane-1-carbonitrile?
The canonical SMILES for 1-(3-chloro-2,4-dihydroxy-5-methylphenyl)cyclopropane-1-carbonitrile is Cc1cc(C2(C#N)CC2)c(O)c(Cl)c1O.
What is the InChIKey of 1-(3-chloro-2,4-dihydroxy-5-methylphenyl)cyclopropane-1-carbonitrile?
The InChIKey is SLBBQPNJKTXLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO2/c1-6-4-7(11(5-13)2-3-11)10(15)8(12)9(6)14/h4,14-15H,2-3H2,1H3.
What are the key properties of 1-(3-chloro-2,4-dihydroxy-5-methylphenyl)cyclopropane-1-carbonitrile?
1-(3-chloro-2,4-dihydroxy-5-methylphenyl)cyclopropane-1-carbonitrile has a molecular weight of 223.66 g/mol, XLogP of 2.61, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2,4-dihydroxy-5-methylphenyl)cyclopropane-1-carbonitrile is sourced from PubChem (CID 84789379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).