4-(4-chloro-3-methoxycarbonylphenyl)-2-hydroxybenzoic acid

C15H11ClO5 — CID 53228500

IUPAC4-(4-chloro-3-methoxycarbonylphenyl)-2-hydroxybenzoic acid
SMILESCOC(=O)c1cc(-c2ccc(C(=O)O)c(O)c2)ccc1Cl
InChIInChI=1S/C15H11ClO5/c1-21-15(20)11-6-8(3-5-12(11)16)9-2-4-10(14(18)19)13(17)7-9/h2-7,17H,1H3,(H,18,19)
InChIKeyZLFSUDHTCJJYMU-UHFFFAOYSA-N
MW306.70 g/mol
LogP3.20
Rot. Bonds3

About 4-(4-chloro-3-methoxycarbonylphenyl)-2-hydroxybenzoic acid

4-(4-chloro-3-methoxycarbonylphenyl)-2-hydroxybenzoic acid (PubChem CID 53228500) has the molecular formula C15H11ClO5 and a molecular weight of 306.70 g/mol. Its IUPAC name is 4-(4-chloro-3-methoxycarbonylphenyl)-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-(4-chloro-3-methoxycarbonylphenyl)-2-hydroxybenzoic acid
PubChem CID53228500
Molecular FormulaC15H11ClO5
Molecular Weight306.70 g/mol
Exact Mass306.03
IUPAC Name4-(4-chloro-3-methoxycarbonylphenyl)-2-hydroxybenzoic acid
SMILESCOC(=O)c1cc(-c2ccc(C(=O)O)c(O)c2)ccc1Cl
InChIInChI=1S/C15H11ClO5/c1-21-15(20)11-6-8(3-5-12(11)16)9-2-4-10(14(18)19)13(17)7-9/h2-7,17H,1H3,(H,18,19)
InChIKeyZLFSUDHTCJJYMU-UHFFFAOYSA-N
XLogP3.20
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.70
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-chloro-3-methoxycarbonylphenyl)-2-methoxybenzoic acid
CID 53228513
4-(4-carboxy-3-methoxycarbonylphenyl)-2-methoxycarbonylbenzoic acid;dihydrochloride
CID 175770469
4-(4-chloro-3-methoxycarbonylphenyl)-3-hydroxybenzoic acid
CID 53228498
2-hydroxy-4-(4-methylphenyl)benzoic acid
CID 53224890
methyl 2-chloro-5-(3-hydroxy-2-pyridinyl)benzoate
CID 53218200
methyl 2-chloro-5-(1H-pyrazol-4-yl)benzoate
CID 129283677
methyl 2-chloro-5-(6-methyl-3-pyridinyl)benzoate
CID 58818175
2-chloro-5-(4-hydroxy-3-methylphenyl)benzoic acid
CID 53219128
4-chloro-2-methoxycarbonylbenzoic acid
CID 58541939
4-(2,4-dichlorophenyl)-2-hydroxybenzoic acid
CID 53227675
methyl 2-chloro-5-(furan-2-yl)benzoate
CID 168524498
4-(3-carbamoyl-4-chlorophenyl)-2-methoxybenzoic acid
CID 53228064

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3-methoxycarbonylphenyl)-2-hydroxybenzoic acid?
The IUPAC name of 4-(4-chloro-3-methoxycarbonylphenyl)-2-hydroxybenzoic acid (CID 53228500) is 4-(4-chloro-3-methoxycarbonylphenyl)-2-hydroxybenzoic acid.
What is the SMILES notation for 4-(4-chloro-3-methoxycarbonylphenyl)-2-hydroxybenzoic acid?
The canonical SMILES for 4-(4-chloro-3-methoxycarbonylphenyl)-2-hydroxybenzoic acid is COC(=O)c1cc(-c2ccc(C(=O)O)c(O)c2)ccc1Cl.
What is the InChIKey of 4-(4-chloro-3-methoxycarbonylphenyl)-2-hydroxybenzoic acid?
The InChIKey is ZLFSUDHTCJJYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClO5/c1-21-15(20)11-6-8(3-5-12(11)16)9-2-4-10(14(18)19)13(17)7-9/h2-7,17H,1H3,(H,18,19).
What are the key properties of 4-(4-chloro-3-methoxycarbonylphenyl)-2-hydroxybenzoic acid?
4-(4-chloro-3-methoxycarbonylphenyl)-2-hydroxybenzoic acid has a molecular weight of 306.70 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-3-methoxycarbonylphenyl)-2-hydroxybenzoic acid is sourced from PubChem (CID 53228500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).