4-[(5-chloro-2-hydroxyphenyl)methyl]-2-hydroxybenzoic acid

C14H11ClO4 — CID 175278741

IUPAC4-[(5-chloro-2-hydroxyphenyl)methyl]-2-hydroxybenzoic acid
SMILESO=C(O)c1ccc(Cc2cc(Cl)ccc2O)cc1O
InChIInChI=1S/C14H11ClO4/c15-10-2-4-12(16)9(7-10)5-8-1-3-11(14(18)19)13(17)6-8/h1-4,6-7,16-17H,5H2,(H,18,19)
InChIKeyWXFURHHPULWGFV-UHFFFAOYSA-N
MW278.69 g/mol
LogP3.04
Rot. Bonds3

About 4-[(5-chloro-2-hydroxyphenyl)methyl]-2-hydroxybenzoic acid

4-[(5-chloro-2-hydroxyphenyl)methyl]-2-hydroxybenzoic acid (PubChem CID 175278741) has the molecular formula C14H11ClO4 and a molecular weight of 278.69 g/mol. Its IUPAC name is 4-[(5-chloro-2-hydroxyphenyl)methyl]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-[(5-chloro-2-hydroxyphenyl)methyl]-2-hydroxybenzoic acid
PubChem CID175278741
Molecular FormulaC14H11ClO4
Molecular Weight278.69 g/mol
Exact Mass278.03
IUPAC Name4-[(5-chloro-2-hydroxyphenyl)methyl]-2-hydroxybenzoic acid
SMILESO=C(O)c1ccc(Cc2cc(Cl)ccc2O)cc1O
InChIInChI=1S/C14H11ClO4/c15-10-2-4-12(16)9(7-10)5-8-1-3-11(14(18)19)13(17)6-8/h1-4,6-7,16-17H,5H2,(H,18,19)
InChIKeyWXFURHHPULWGFV-UHFFFAOYSA-N
XLogP3.04
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.69
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-[3-(3,4-dihydroxyphenyl)-2-oxopropyl]benzoic acid
CID 163677042
4-chloro-2-[(3-chloro-5-hydroxyphenyl)methyl]phenol
CID 21288827
4-butyl-2-hydroxybenzoic acid
CID 14895249
calcium;5-chloro-2-hydroxybenzoic acid;hydride
CID 174504492
4-chloro-2-[[5-chloro-3-[(5-chloro-2-hydroxyphenyl)methyl]-2-hydroxyphenyl]methyl]-6-[(5-chloro-2-hydroxyphenyl)methyl]phenol
CID 12772656
4-[(4-carboxy-3-chlorophenyl)methyl]-2-chlorobenzoic acid
CID 19980721
4-[(5-chloro-2-fluorophenyl)methyl]benzoic acid
CID 116927200
4-[[(5-chloro-2-hydroxyphenyl)methyl-methylamino]methyl]benzoic acid
CID 65051860
4-[2-[4-[2-(4-carboxyphenyl)ethyl]phenyl]ethyl]-2-hydroxybenzoic acid
CID 171715325
4-[2-[3-[2-(4-carboxy-3-hydroxyphenyl)ethyl]-5-hydroxyphenyl]ethyl]-2-hydroxybenzoic acid
CID 171715379
4-(2,4-dichlorophenyl)-2-hydroxybenzoic acid
CID 53227675
4-chloro-2-[[2-(4-hydroxyphenyl)acetyl]amino]benzoic acid
CID 28934159

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-2-hydroxyphenyl)methyl]-2-hydroxybenzoic acid?
The IUPAC name of 4-[(5-chloro-2-hydroxyphenyl)methyl]-2-hydroxybenzoic acid (CID 175278741) is 4-[(5-chloro-2-hydroxyphenyl)methyl]-2-hydroxybenzoic acid.
What is the SMILES notation for 4-[(5-chloro-2-hydroxyphenyl)methyl]-2-hydroxybenzoic acid?
The canonical SMILES for 4-[(5-chloro-2-hydroxyphenyl)methyl]-2-hydroxybenzoic acid is O=C(O)c1ccc(Cc2cc(Cl)ccc2O)cc1O.
What is the InChIKey of 4-[(5-chloro-2-hydroxyphenyl)methyl]-2-hydroxybenzoic acid?
The InChIKey is WXFURHHPULWGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClO4/c15-10-2-4-12(16)9(7-10)5-8-1-3-11(14(18)19)13(17)6-8/h1-4,6-7,16-17H,5H2,(H,18,19).
What are the key properties of 4-[(5-chloro-2-hydroxyphenyl)methyl]-2-hydroxybenzoic acid?
4-[(5-chloro-2-hydroxyphenyl)methyl]-2-hydroxybenzoic acid has a molecular weight of 278.69 g/mol, XLogP of 3.04, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-2-hydroxyphenyl)methyl]-2-hydroxybenzoic acid is sourced from PubChem (CID 175278741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).