3-(2-hydroxy-5-methylphenyl)benzaldehyde

C14H12O2 — CID 82039069

IUPAC3-(2-hydroxy-5-methylphenyl)benzaldehyde
SMILESCc1ccc(O)c(-c2cccc(C=O)c2)c1
InChIInChI=1S/C14H12O2/c1-10-5-6-14(16)13(7-10)12-4-2-3-11(8-12)9-15/h2-9,16H,1H3
InChIKeyYXKKEAXVOUFSJB-UHFFFAOYSA-N
MW212.25 g/mol
LogP3.18
Rot. Bonds2

About 3-(2-hydroxy-5-methylphenyl)benzaldehyde

3-(2-hydroxy-5-methylphenyl)benzaldehyde (PubChem CID 82039069) has the molecular formula C14H12O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 3-(2-hydroxy-5-methylphenyl)benzaldehyde.

Molecular Properties

Compound Name3-(2-hydroxy-5-methylphenyl)benzaldehyde
PubChem CID82039069
Molecular FormulaC14H12O2
Molecular Weight212.25 g/mol
Exact Mass212.08
IUPAC Name3-(2-hydroxy-5-methylphenyl)benzaldehyde
SMILESCc1ccc(O)c(-c2cccc(C=O)c2)c1
InChIInChI=1S/C14H12O2/c1-10-5-6-14(16)13(7-10)12-4-2-3-11(8-12)9-15/h2-9,16H,1H3
InChIKeyYXKKEAXVOUFSJB-UHFFFAOYSA-N
XLogP3.18
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 53.18
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

2-(3-formylphenyl)-4-methylbenzonitrile
CID 172915428
4-hydroxy-3-(3-hydroxyphenyl)benzaldehyde
CID 115028639
3-(2,3,4,5-tetramethylphenyl)benzaldehyde
CID 87595803
3-(3-acetyl-4-hydroxyphenyl)benzaldehyde
CID 23004902
4-methyl-2-(3-propylphenyl)phenol
CID 116546527
2-(3,5-dimethylphenyl)-4-methylphenol
CID 83128988
3-[3-(2-hydroxy-5-methylphenyl)phenyl]propanoic acid
CID 68870156
4-chloro-2-(3-methylphenyl)phenol
CID 83129691
3-(3-hydroxyphenyl)-4-methylbenzaldehyde
CID 39231630
2-(3-methylphenyl)phenol
CID 11206198
ethene;2-(4-hydroxy-3-methylphenyl)-4-methylphenol
CID 143337895
2-(3-formylphenyl)benzaldehyde
CID 57186210

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-5-methylphenyl)benzaldehyde?
The IUPAC name of 3-(2-hydroxy-5-methylphenyl)benzaldehyde (CID 82039069) is 3-(2-hydroxy-5-methylphenyl)benzaldehyde.
What is the SMILES notation for 3-(2-hydroxy-5-methylphenyl)benzaldehyde?
The canonical SMILES for 3-(2-hydroxy-5-methylphenyl)benzaldehyde is Cc1ccc(O)c(-c2cccc(C=O)c2)c1.
What is the InChIKey of 3-(2-hydroxy-5-methylphenyl)benzaldehyde?
The InChIKey is YXKKEAXVOUFSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O2/c1-10-5-6-14(16)13(7-10)12-4-2-3-11(8-12)9-15/h2-9,16H,1H3.
What are the key properties of 3-(2-hydroxy-5-methylphenyl)benzaldehyde?
3-(2-hydroxy-5-methylphenyl)benzaldehyde has a molecular weight of 212.25 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-5-methylphenyl)benzaldehyde is sourced from PubChem (CID 82039069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).