methyl 4-benzoyl-3-hydroxybenzoate

C15H12O4 — CID 132545644

IUPACmethyl 4-benzoyl-3-hydroxybenzoate
SMILESCOC(=O)c1ccc(C(=O)c2ccccc2)c(O)c1
InChIInChI=1S/C15H12O4/c1-19-15(18)11-7-8-12(13(16)9-11)14(17)10-5-3-2-4-6-10/h2-9,16H,1H3
InChIKeyPAUZOWKWWQQDTC-UHFFFAOYSA-N
MW256.26 g/mol
LogP2.41
Rot. Bonds3

About methyl 4-benzoyl-3-hydroxybenzoate

methyl 4-benzoyl-3-hydroxybenzoate (PubChem CID 132545644) has the molecular formula C15H12O4 and a molecular weight of 256.26 g/mol. Its IUPAC name is methyl 4-benzoyl-3-hydroxybenzoate.

Molecular Properties

Compound Namemethyl 4-benzoyl-3-hydroxybenzoate
PubChem CID132545644
Molecular FormulaC15H12O4
Molecular Weight256.26 g/mol
Exact Mass256.07
IUPAC Namemethyl 4-benzoyl-3-hydroxybenzoate
SMILESCOC(=O)c1ccc(C(=O)c2ccccc2)c(O)c1
InChIInChI=1S/C15H12O4/c1-19-15(18)11-7-8-12(13(16)9-11)14(17)10-5-3-2-4-6-10/h2-9,16H,1H3
InChIKeyPAUZOWKWWQQDTC-UHFFFAOYSA-N
XLogP2.41
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 52.41
H-Bond Donors ≤ 51
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
ethane;(2-hydroxyphenyl)-phenylmethanone;methoxymethane
CID 91515590
methyl 3-hydroxy-4-(2-methylpropanoyl)benzoate
CID 134494903
[(2-hydroxy-5-methoxycarbonylphenyl)-phenylmethylidene]azanium
CID 169143867
trimethyl 4-benzoylbenzene-1,2,3-tricarboxylate
CID 139914532
N-(4-benzoyl-3-hydroxyphenyl)acetamide
CID 611295
(2-hydroxy-4-methoxyphenyl)-(4-phenylphenyl)methanone
CID 13466519
(4-hydroperoxy-2-hydroxyphenyl)-phenylmethanone
CID 88685403
[4-[3-(4-benzoyl-3-hydroxyphenoxy)butan-2-yloxy]-2-hydroxyphenyl]-phenylmethanone
CID 158500330
[2-hydroxy-4-(2-methoxyethyl)phenyl]-phenylmethanone
CID 175588914

Frequently Asked Questions

What is the IUPAC name of methyl 4-benzoyl-3-hydroxybenzoate?
The IUPAC name of methyl 4-benzoyl-3-hydroxybenzoate (CID 132545644) is methyl 4-benzoyl-3-hydroxybenzoate.
What is the SMILES notation for methyl 4-benzoyl-3-hydroxybenzoate?
The canonical SMILES for methyl 4-benzoyl-3-hydroxybenzoate is COC(=O)c1ccc(C(=O)c2ccccc2)c(O)c1.
What is the InChIKey of methyl 4-benzoyl-3-hydroxybenzoate?
The InChIKey is PAUZOWKWWQQDTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O4/c1-19-15(18)11-7-8-12(13(16)9-11)14(17)10-5-3-2-4-6-10/h2-9,16H,1H3.
What are the key properties of methyl 4-benzoyl-3-hydroxybenzoate?
methyl 4-benzoyl-3-hydroxybenzoate has a molecular weight of 256.26 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-benzoyl-3-hydroxybenzoate is sourced from PubChem (CID 132545644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).