4-(2-hydroxy-5-methylbenzoyl)benzaldehyde

C15H12O3 — CID 143547610

IUPAC4-(2-hydroxy-5-methylbenzoyl)benzaldehyde
SMILESCc1ccc(O)c(C(=O)c2ccc(C=O)cc2)c1
InChIInChI=1S/C15H12O3/c1-10-2-7-14(17)13(8-10)15(18)12-5-3-11(9-16)4-6-12/h2-9,17H,1H3
InChIKeyZWFAETSPCLBAOS-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.74
Rot. Bonds3

About 4-(2-hydroxy-5-methylbenzoyl)benzaldehyde

4-(2-hydroxy-5-methylbenzoyl)benzaldehyde (PubChem CID 143547610) has the molecular formula C15H12O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 4-(2-hydroxy-5-methylbenzoyl)benzaldehyde.

Molecular Properties

Compound Name4-(2-hydroxy-5-methylbenzoyl)benzaldehyde
PubChem CID143547610
Molecular FormulaC15H12O3
Molecular Weight240.26 g/mol
Exact Mass240.08
IUPAC Name4-(2-hydroxy-5-methylbenzoyl)benzaldehyde
SMILESCc1ccc(O)c(C(=O)c2ccc(C=O)cc2)c1
InChIInChI=1S/C15H12O3/c1-10-2-7-14(17)13(8-10)15(18)12-5-3-11(9-16)4-6-12/h2-9,17H,1H3
InChIKeyZWFAETSPCLBAOS-UHFFFAOYSA-N
XLogP2.74
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-methylbenzaldehyde;4-methylbenzoic acid;1,4-xylene
CID 20553533
potassium 2-hydroxy-5-methylbenzoate
CID 67847974
2-hydroxy-5-[3-(4-methylphenyl)prop-2-enoyl]benzamide
CID 174963027
4-(2-chlorobenzoyl)benzaldehyde
CID 82118162
(2-hydroxy-3,5-dimethylphenyl)-(4-methylphenyl)methanone
CID 13251027
(3-tert-butyl-4-hydroxyphenyl)-(2,4-dimethylphenyl)methanone
CID 86189379
(2-aminophenyl)-(2-hydroxy-5-methylphenyl)methanone
CID 10680803
4-[2-(4-formylphenyl)-2-oxoacetyl]benzaldehyde
CID 641325
methyl 4-(2-hydroxy-5-methylbenzoyl)-1H-pyrrole-2-carboxylate
CID 23735292
1-(2-hydroxy-5-methylphenyl)-2-(methylamino)ethanone
CID 82600157
3-(4-fluorophenyl)-3-hydroxy-1-(2-hydroxy-5-methylphenyl)prop-2-en-1-one
CID 7307869
[3-[3-(3,4-dihydroxybenzoyl)-4-hydroxybenzoyl]-4-hydroxyphenyl]-(3,4-dihydroxyphenyl)methanone
CID 172840396

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxy-5-methylbenzoyl)benzaldehyde?
The IUPAC name of 4-(2-hydroxy-5-methylbenzoyl)benzaldehyde (CID 143547610) is 4-(2-hydroxy-5-methylbenzoyl)benzaldehyde.
What is the SMILES notation for 4-(2-hydroxy-5-methylbenzoyl)benzaldehyde?
The canonical SMILES for 4-(2-hydroxy-5-methylbenzoyl)benzaldehyde is Cc1ccc(O)c(C(=O)c2ccc(C=O)cc2)c1.
What is the InChIKey of 4-(2-hydroxy-5-methylbenzoyl)benzaldehyde?
The InChIKey is ZWFAETSPCLBAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O3/c1-10-2-7-14(17)13(8-10)15(18)12-5-3-11(9-16)4-6-12/h2-9,17H,1H3.
What are the key properties of 4-(2-hydroxy-5-methylbenzoyl)benzaldehyde?
4-(2-hydroxy-5-methylbenzoyl)benzaldehyde has a molecular weight of 240.26 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxy-5-methylbenzoyl)benzaldehyde is sourced from PubChem (CID 143547610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).