chloro 3-hydroxy-5-methylbenzoate

C8H7ClO3 — CID 174357557

IUPACchloro 3-hydroxy-5-methylbenzoate
SMILESCc1cc(O)cc(C(=O)OCl)c1
InChIInChI=1S/C8H7ClO3/c1-5-2-6(8(11)12-9)4-7(10)3-5/h2-4,10H,1H3
InChIKeyVADPDNVMBRROSE-UHFFFAOYSA-N
MW186.59 g/mol
LogP2.01
Rot. Bonds1

About chloro 3-hydroxy-5-methylbenzoate

chloro 3-hydroxy-5-methylbenzoate (PubChem CID 174357557) has the molecular formula C8H7ClO3 and a molecular weight of 186.59 g/mol. Its IUPAC name is chloro 3-hydroxy-5-methylbenzoate.

Molecular Properties

Compound Namechloro 3-hydroxy-5-methylbenzoate
PubChem CID174357557
Molecular FormulaC8H7ClO3
Molecular Weight186.59 g/mol
Exact Mass186.01
IUPAC Namechloro 3-hydroxy-5-methylbenzoate
SMILESCc1cc(O)cc(C(=O)OCl)c1
InChIInChI=1S/C8H7ClO3/c1-5-2-6(8(11)12-9)4-7(10)3-5/h2-4,10H,1H3
InChIKeyVADPDNVMBRROSE-UHFFFAOYSA-N
XLogP2.01
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.59
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,5-dimethylbenzoyl) 3,5-dimethylbenzoate
CID 11780991
[3-acetyl-5-[3-hydroxy-5-(3-hydroxy-5-methoxybenzoyl)oxybenzoyl]oxyphenyl] 3-(3,5-dimethoxybenzoyl)oxy-5-methylbenzoate
CID 58711121
[3-(3,5-dihydroxybenzoyl)oxy-5-(4-methylphenoxy)carbonylphenyl] 3,5-dihydroxybenzoate
CID 58912231
methyl 3-carbonochloridoyl-5-hydroxybenzoate
CID 45081214
chloro 3,4-dimethylbenzoate
CID 174727966
methyl 4-[(3-hydroxy-5-methylbenzoyl)amino]benzoate
CID 176550811
CID 175809990
CID 175809990
phosphanyl 3,5-dihydroxybenzoate
CID 67765668
bis(trimethylsilyl) 5-methylbenzene-1,3-dicarboxylate
CID 91741915
carbanide;3,5-dimethylphenol;titanium(2+)
CID 174659955
ethyl 3-bromo-5-hydroxybenzoate
CID 11708561
3-methoxycarbonyl-5-methylbenzoic acid
CID 7210836

Frequently Asked Questions

What is the IUPAC name of chloro 3-hydroxy-5-methylbenzoate?
The IUPAC name of chloro 3-hydroxy-5-methylbenzoate (CID 174357557) is chloro 3-hydroxy-5-methylbenzoate.
What is the SMILES notation for chloro 3-hydroxy-5-methylbenzoate?
The canonical SMILES for chloro 3-hydroxy-5-methylbenzoate is Cc1cc(O)cc(C(=O)OCl)c1.
What is the InChIKey of chloro 3-hydroxy-5-methylbenzoate?
The InChIKey is VADPDNVMBRROSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClO3/c1-5-2-6(8(11)12-9)4-7(10)3-5/h2-4,10H,1H3.
What are the key properties of chloro 3-hydroxy-5-methylbenzoate?
chloro 3-hydroxy-5-methylbenzoate has a molecular weight of 186.59 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chloro 3-hydroxy-5-methylbenzoate is sourced from PubChem (CID 174357557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).