4-(3-carboxy-5-hydroxyphenyl)-2-methoxybenzoic acid

C15H12O6 — CID 170646989

IUPAC4-(3-carboxy-5-hydroxyphenyl)-2-methoxybenzoic acid
SMILESCOc1cc(-c2cc(O)cc(C(=O)O)c2)ccc1C(=O)O
InChIInChI=1S/C15H12O6/c1-21-13-7-8(2-3-12(13)15(19)20)9-4-10(14(17)18)6-11(16)5-9/h2-7,16H,1H3,(H,17,18)(H,19,20)
InChIKeyVXRZCZYWZJWUEH-UHFFFAOYSA-N
MW288.26 g/mol
LogP2.46
Rot. Bonds4

About 4-(3-carboxy-5-hydroxyphenyl)-2-methoxybenzoic acid

4-(3-carboxy-5-hydroxyphenyl)-2-methoxybenzoic acid (PubChem CID 170646989) has the molecular formula C15H12O6 and a molecular weight of 288.26 g/mol. Its IUPAC name is 4-(3-carboxy-5-hydroxyphenyl)-2-methoxybenzoic acid.

Molecular Properties

Compound Name4-(3-carboxy-5-hydroxyphenyl)-2-methoxybenzoic acid
PubChem CID170646989
Molecular FormulaC15H12O6
Molecular Weight288.26 g/mol
Exact Mass288.06
IUPAC Name4-(3-carboxy-5-hydroxyphenyl)-2-methoxybenzoic acid
SMILESCOc1cc(-c2cc(O)cc(C(=O)O)c2)ccc1C(=O)O
InChIInChI=1S/C15H12O6/c1-21-13-7-8(2-3-12(13)15(19)20)9-4-10(14(17)18)6-11(16)5-9/h2-7,16H,1H3,(H,17,18)(H,19,20)
InChIKeyVXRZCZYWZJWUEH-UHFFFAOYSA-N
XLogP2.46
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,5-difluorophenyl)-2-methoxybenzoic acid
CID 53225906
4-(3-carboxy-5-hydroxyphenyl)-2-fluorobenzoic acid
CID 53227368
4-(3-fluoro-5-methoxycarbonylphenyl)-2-methoxybenzoic acid
CID 53228002
3-hydroxy-5-(2-methoxyphenyl)benzoic acid
CID 53225397
4-(3-fluoro-4-methoxyphenyl)-2-methoxybenzoic acid
CID 53226547
4-(4-formylphenyl)-2-methoxybenzoic acid
CID 53225183
4-(3-aminophenyl)-2-methoxybenzoic acid
CID 53224921
2-methoxy-4-[3-(trifluoromethyl)phenyl]benzoic acid
CID 53227617
4-[4-(3-hydroxy-5-methoxycarbonylphenyl)phenyl]benzoic acid
CID 167869556
4-(3-carbamoyl-4-chlorophenyl)-2-methoxybenzoic acid
CID 53228064
4-(4-chloro-3-methoxycarbonylphenyl)-2-methoxybenzoic acid
CID 53228513
3-hydroxy-5-[2-methoxy-5-(trifluoromethyl)phenyl]benzoic acid
CID 53228592

Frequently Asked Questions

What is the IUPAC name of 4-(3-carboxy-5-hydroxyphenyl)-2-methoxybenzoic acid?
The IUPAC name of 4-(3-carboxy-5-hydroxyphenyl)-2-methoxybenzoic acid (CID 170646989) is 4-(3-carboxy-5-hydroxyphenyl)-2-methoxybenzoic acid.
What is the SMILES notation for 4-(3-carboxy-5-hydroxyphenyl)-2-methoxybenzoic acid?
The canonical SMILES for 4-(3-carboxy-5-hydroxyphenyl)-2-methoxybenzoic acid is COc1cc(-c2cc(O)cc(C(=O)O)c2)ccc1C(=O)O.
What is the InChIKey of 4-(3-carboxy-5-hydroxyphenyl)-2-methoxybenzoic acid?
The InChIKey is VXRZCZYWZJWUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O6/c1-21-13-7-8(2-3-12(13)15(19)20)9-4-10(14(17)18)6-11(16)5-9/h2-7,16H,1H3,(H,17,18)(H,19,20).
What are the key properties of 4-(3-carboxy-5-hydroxyphenyl)-2-methoxybenzoic acid?
4-(3-carboxy-5-hydroxyphenyl)-2-methoxybenzoic acid has a molecular weight of 288.26 g/mol, XLogP of 2.46, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-carboxy-5-hydroxyphenyl)-2-methoxybenzoic acid is sourced from PubChem (CID 170646989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).