4-(3,5-dimethylphenyl)-2-hydroxybenzaldehyde

C15H14O2 — CID 53220321

IUPAC4-(3,5-dimethylphenyl)-2-hydroxybenzaldehyde
SMILESCc1cc(C)cc(-c2ccc(C=O)c(O)c2)c1
InChIInChI=1S/C15H14O2/c1-10-5-11(2)7-14(6-10)12-3-4-13(9-16)15(17)8-12/h3-9,17H,1-2H3
InChIKeyUUVCNVJZVNYJGZ-UHFFFAOYSA-N
MW226.27 g/mol
LogP3.49
Rot. Bonds2

About 4-(3,5-dimethylphenyl)-2-hydroxybenzaldehyde

4-(3,5-dimethylphenyl)-2-hydroxybenzaldehyde (PubChem CID 53220321) has the molecular formula C15H14O2 and a molecular weight of 226.27 g/mol. Its IUPAC name is 4-(3,5-dimethylphenyl)-2-hydroxybenzaldehyde.

Molecular Properties

Compound Name4-(3,5-dimethylphenyl)-2-hydroxybenzaldehyde
PubChem CID53220321
Molecular FormulaC15H14O2
Molecular Weight226.27 g/mol
Exact Mass226.10
IUPAC Name4-(3,5-dimethylphenyl)-2-hydroxybenzaldehyde
SMILESCc1cc(C)cc(-c2ccc(C=O)c(O)c2)c1
InChIInChI=1S/C15H14O2/c1-10-5-11(2)7-14(6-10)12-3-4-13(9-16)15(17)8-12/h3-9,17H,1-2H3
InChIKeyUUVCNVJZVNYJGZ-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-(3,5-dimethylphenyl)-2-hydroxybenzaldehyde?
The IUPAC name of 4-(3,5-dimethylphenyl)-2-hydroxybenzaldehyde (CID 53220321) is 4-(3,5-dimethylphenyl)-2-hydroxybenzaldehyde.
What is the SMILES notation for 4-(3,5-dimethylphenyl)-2-hydroxybenzaldehyde?
The canonical SMILES for 4-(3,5-dimethylphenyl)-2-hydroxybenzaldehyde is Cc1cc(C)cc(-c2ccc(C=O)c(O)c2)c1.
What is the InChIKey of 4-(3,5-dimethylphenyl)-2-hydroxybenzaldehyde?
The InChIKey is UUVCNVJZVNYJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2/c1-10-5-11(2)7-14(6-10)12-3-4-13(9-16)15(17)8-12/h3-9,17H,1-2H3.
What are the key properties of 4-(3,5-dimethylphenyl)-2-hydroxybenzaldehyde?
4-(3,5-dimethylphenyl)-2-hydroxybenzaldehyde 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-(3,5-dimethylphenyl)-2-hydroxybenzaldehyde is sourced from PubChem (CID 53220321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).