4-(2-hydroxy-4-methoxybenzoyl)benzoic acid

C15H12O5 — CID 22162022

IUPAC4-(2-hydroxy-4-methoxybenzoyl)benzoic acid
SMILESCOc1ccc(C(=O)c2ccc(C(=O)O)cc2)c(O)c1
InChIInChI=1S/C15H12O5/c1-20-11-6-7-12(13(16)8-11)14(17)9-2-4-10(5-3-9)15(18)19/h2-8,16H,1H3,(H,18,19)
InChIKeyLGGYBGDHODGJST-UHFFFAOYSA-N
MW272.26 g/mol
LogP2.33
Rot. Bonds4

About 4-(2-hydroxy-4-methoxybenzoyl)benzoic acid

4-(2-hydroxy-4-methoxybenzoyl)benzoic acid (PubChem CID 22162022) has the molecular formula C15H12O5 and a molecular weight of 272.26 g/mol. Its IUPAC name is 4-(2-hydroxy-4-methoxybenzoyl)benzoic acid.

Molecular Properties

Compound Name4-(2-hydroxy-4-methoxybenzoyl)benzoic acid
PubChem CID22162022
Molecular FormulaC15H12O5
Molecular Weight272.26 g/mol
Exact Mass272.07
IUPAC Name4-(2-hydroxy-4-methoxybenzoyl)benzoic acid
SMILESCOc1ccc(C(=O)c2ccc(C(=O)O)cc2)c(O)c1
InChIInChI=1S/C15H12O5/c1-20-11-6-7-12(13(16)8-11)14(17)9-2-4-10(5-3-9)15(18)19/h2-8,16H,1H3,(H,18,19)
InChIKeyLGGYBGDHODGJST-UHFFFAOYSA-N
XLogP2.33
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2-hydroxy-4-methoxyphenyl)-phenylmethanone;(4-methoxyphenyl)-phenylmethanone
CID 159601745
CID 172864174
CID 172864174
CID 175499515
CID 175499515
(2-hydroxy-4-methoxyphenyl)-(4-phenylphenyl)methanone
CID 13466519
4-(2-hydroxy-4-methoxybenzoyl)benzenesulfonic acid
CID 101277642
formaldehyde;bis((2-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone);bis((2-hydroxy-4-methoxyphenyl)-phenylmethanone)
CID 158936805
(2-hydroxy-4-methoxyphenyl)-(4-nitrophenyl)methanone
CID 14241911
(2-hydroxy-4-methoxyphenyl)-phenylmethanone;propan-1-amine;hydrochloride
CID 158222494
(2-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone
CID 8569
2-[3-hydroxy-4-(4-methoxybenzoyl)phenoxy]acetaldehyde
CID 54363889
4-(6-methoxynaphthalene-2-carbonyl)benzoic acid
CID 70129561
5-methoxy-2-[4-(methoxymethyl)benzoyl]benzoic acid
CID 69214250

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxy-4-methoxybenzoyl)benzoic acid?
The IUPAC name of 4-(2-hydroxy-4-methoxybenzoyl)benzoic acid (CID 22162022) is 4-(2-hydroxy-4-methoxybenzoyl)benzoic acid.
What is the SMILES notation for 4-(2-hydroxy-4-methoxybenzoyl)benzoic acid?
The canonical SMILES for 4-(2-hydroxy-4-methoxybenzoyl)benzoic acid is COc1ccc(C(=O)c2ccc(C(=O)O)cc2)c(O)c1.
What is the InChIKey of 4-(2-hydroxy-4-methoxybenzoyl)benzoic acid?
The InChIKey is LGGYBGDHODGJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O5/c1-20-11-6-7-12(13(16)8-11)14(17)9-2-4-10(5-3-9)15(18)19/h2-8,16H,1H3,(H,18,19).
What are the key properties of 4-(2-hydroxy-4-methoxybenzoyl)benzoic acid?
4-(2-hydroxy-4-methoxybenzoyl)benzoic acid has a molecular weight of 272.26 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxy-4-methoxybenzoyl)benzoic acid is sourced from PubChem (CID 22162022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).