2-[hydroxy-bis(4-methylphenyl)methyl]benzaldehyde

C22H20O2 — CID 88982284

IUPAC2-[hydroxy-bis(4-methylphenyl)methyl]benzaldehyde
SMILESCc1ccc(C(O)(c2ccc(C)cc2)c2ccccc2C=O)cc1
InChIInChI=1S/C22H20O2/c1-16-7-11-19(12-8-16)22(24,20-13-9-17(2)10-14-20)21-6-4-3-5-18(21)15-23/h3-15,24H,1-2H3
InChIKeyOSGNOORJELMSTQ-UHFFFAOYSA-N
MW316.40 g/mol
LogP4.40
Rot. Bonds4

About 2-[hydroxy-bis(4-methylphenyl)methyl]benzaldehyde

2-[hydroxy-bis(4-methylphenyl)methyl]benzaldehyde (PubChem CID 88982284) has the molecular formula C22H20O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 2-[hydroxy-bis(4-methylphenyl)methyl]benzaldehyde.

Molecular Properties

Compound Name2-[hydroxy-bis(4-methylphenyl)methyl]benzaldehyde
PubChem CID88982284
Molecular FormulaC22H20O2
Molecular Weight316.40 g/mol
Exact Mass316.15
IUPAC Name2-[hydroxy-bis(4-methylphenyl)methyl]benzaldehyde
SMILESCc1ccc(C(O)(c2ccc(C)cc2)c2ccccc2C=O)cc1
InChIInChI=1S/C22H20O2/c1-16-7-11-19(12-8-16)22(24,20-13-9-17(2)10-14-20)21-6-4-3-5-18(21)15-23/h3-15,24H,1-2H3
InChIKeyOSGNOORJELMSTQ-UHFFFAOYSA-N
XLogP4.40
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[hydroxy-bis(4-methylphenyl)methyl]benzaldehyde?
The IUPAC name of 2-[hydroxy-bis(4-methylphenyl)methyl]benzaldehyde (CID 88982284) is 2-[hydroxy-bis(4-methylphenyl)methyl]benzaldehyde.
What is the SMILES notation for 2-[hydroxy-bis(4-methylphenyl)methyl]benzaldehyde?
The canonical SMILES for 2-[hydroxy-bis(4-methylphenyl)methyl]benzaldehyde is Cc1ccc(C(O)(c2ccc(C)cc2)c2ccccc2C=O)cc1.
What is the InChIKey of 2-[hydroxy-bis(4-methylphenyl)methyl]benzaldehyde?
The InChIKey is OSGNOORJELMSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O2/c1-16-7-11-19(12-8-16)22(24,20-13-9-17(2)10-14-20)21-6-4-3-5-18(21)15-23/h3-15,24H,1-2H3.
What are the key properties of 2-[hydroxy-bis(4-methylphenyl)methyl]benzaldehyde?
2-[hydroxy-bis(4-methylphenyl)methyl]benzaldehyde has a molecular weight of 316.40 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hydroxy-bis(4-methylphenyl)methyl]benzaldehyde is sourced from PubChem (CID 88982284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).