4-(4-hydroxy-2,6-dimethylphenyl)benzaldehyde

C15H14O2 — CID 51350055

IUPAC4-(4-hydroxy-2,6-dimethylphenyl)benzaldehyde
SMILESCc1cc(O)cc(C)c1-c1ccc(C=O)cc1
InChIInChI=1S/C15H14O2/c1-10-7-14(17)8-11(2)15(10)13-5-3-12(9-16)4-6-13/h3-9,17H,1-2H3
InChIKeyHKOSRVUWSDBIQB-UHFFFAOYSA-N
MW226.27 g/mol
LogP3.49
Rot. Bonds2

About 4-(4-hydroxy-2,6-dimethylphenyl)benzaldehyde

4-(4-hydroxy-2,6-dimethylphenyl)benzaldehyde (PubChem CID 51350055) has the molecular formula C15H14O2 and a molecular weight of 226.27 g/mol. Its IUPAC name is 4-(4-hydroxy-2,6-dimethylphenyl)benzaldehyde.

Molecular Properties

Compound Name4-(4-hydroxy-2,6-dimethylphenyl)benzaldehyde
PubChem CID51350055
Molecular FormulaC15H14O2
Molecular Weight226.27 g/mol
Exact Mass226.10
IUPAC Name4-(4-hydroxy-2,6-dimethylphenyl)benzaldehyde
SMILESCc1cc(O)cc(C)c1-c1ccc(C=O)cc1
InChIInChI=1S/C15H14O2/c1-10-7-14(17)8-11(2)15(10)13-5-3-12(9-16)4-6-13/h3-9,17H,1-2H3
InChIKeyHKOSRVUWSDBIQB-UHFFFAOYSA-N
XLogP3.49
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxy-2,6-dimethylphenyl)benzaldehyde?
The IUPAC name of 4-(4-hydroxy-2,6-dimethylphenyl)benzaldehyde (CID 51350055) is 4-(4-hydroxy-2,6-dimethylphenyl)benzaldehyde.
What is the SMILES notation for 4-(4-hydroxy-2,6-dimethylphenyl)benzaldehyde?
The canonical SMILES for 4-(4-hydroxy-2,6-dimethylphenyl)benzaldehyde is Cc1cc(O)cc(C)c1-c1ccc(C=O)cc1.
What is the InChIKey of 4-(4-hydroxy-2,6-dimethylphenyl)benzaldehyde?
The InChIKey is HKOSRVUWSDBIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2/c1-10-7-14(17)8-11(2)15(10)13-5-3-12(9-16)4-6-13/h3-9,17H,1-2H3.
What are the key properties of 4-(4-hydroxy-2,6-dimethylphenyl)benzaldehyde?
4-(4-hydroxy-2,6-dimethylphenyl)benzaldehyde has a molecular weight of 226.27 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxy-2,6-dimethylphenyl)benzaldehyde is sourced from PubChem (CID 51350055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).