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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Related Compounds

4-(3,5-dimethoxyphenyl)-2-hydroxybenzaldehyde
CID 53220512
2-hydroxy-4-[4-[1,2,2-tris[4-(4-formyl-3-hydroxyphenyl)phenyl]ethenyl]phenyl]benzaldehyde
CID 172878726
4-(3,4-difluorophenyl)-2-hydroxybenzaldehyde
CID 53220375
4-(3-fluorophenyl)-2-hydroxybenzaldehyde
CID 53220290
2,4-dimethylbenzaldehyde;2-hydroxy-4-methylbenzaldehyde;methane
CID 161019797
2-hydroxy-4-(2,4,6-trifluorophenyl)benzaldehyde
CID 53220480
4-(2,5-dichlorophenyl)-2-hydroxybenzaldehyde
CID 53220552
2-methyl-4-(3,4,5-trifluorophenyl)benzaldehyde
CID 172650737
2-(3,5-dimethylphenyl)benzaldehyde
CID 61025926
3-hydroxy-2-(4-methylphenyl)benzaldehyde
CID 22125800
4-(3,5-dimethylphenyl)-2-methoxyphenol
CID 53220752
5-(3,5-dimethylphenyl)-2-phenylmethoxybenzaldehyde
CID 172650078

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).