3-(3-hydroxyphenyl)-4-methylbenzaldehyde

C14H12O2 — CID 39231630

IUPAC3-(3-hydroxyphenyl)-4-methylbenzaldehyde
SMILESCc1ccc(C=O)cc1-c1cccc(O)c1
InChIInChI=1S/C14H12O2/c1-10-5-6-11(9-15)7-14(10)12-3-2-4-13(16)8-12/h2-9,16H,1H3
InChIKeyGCSHJTRNEINZSD-UHFFFAOYSA-N
MW212.25 g/mol
LogP3.18
Rot. Bonds2

About 3-(3-hydroxyphenyl)-4-methylbenzaldehyde

3-(3-hydroxyphenyl)-4-methylbenzaldehyde (PubChem CID 39231630) has the molecular formula C14H12O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 3-(3-hydroxyphenyl)-4-methylbenzaldehyde.

Molecular Properties

Compound Name3-(3-hydroxyphenyl)-4-methylbenzaldehyde
PubChem CID39231630
Molecular FormulaC14H12O2
Molecular Weight212.25 g/mol
Exact Mass212.08
IUPAC Name3-(3-hydroxyphenyl)-4-methylbenzaldehyde
SMILESCc1ccc(C=O)cc1-c1cccc(O)c1
InChIInChI=1S/C14H12O2/c1-10-5-6-11(9-15)7-14(10)12-3-2-4-13(16)8-12/h2-9,16H,1H3
InChIKeyGCSHJTRNEINZSD-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

4-hydroxy-3-(3-hydroxyphenyl)benzaldehyde
CID 115028639
4-methyl-3-[3-(2-methylpropyl)phenyl]benzaldehyde
CID 105408260
3-hydroxybenzaldehyde;methoxymethane
CID 163225851
3-(2,3,4-trimethylphenyl)phenol
CID 101298831
4-methyl-3-(2-methylpyrimidin-5-yl)benzaldehyde
CID 172651197
3-(furan-3-yl)-4-methylbenzaldehyde
CID 105408137
1-(3-hydroxyphenyl)isoquinoline-7-carbaldehyde
CID 169292309
4-methyl-3-quinolin-7-ylbenzaldehyde
CID 105408212
3-(2-hydroxy-5-methylphenyl)benzaldehyde
CID 82039069
4-methyl-3-(5-methyl-3-pyridinyl)benzaldehyde
CID 105408219
3-(2,4-dimethylphenyl)phenol
CID 53218508
3-(2,3,4,5-tetramethylphenyl)benzaldehyde
CID 87595803

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxyphenyl)-4-methylbenzaldehyde?
The IUPAC name of 3-(3-hydroxyphenyl)-4-methylbenzaldehyde (CID 39231630) is 3-(3-hydroxyphenyl)-4-methylbenzaldehyde.
What is the SMILES notation for 3-(3-hydroxyphenyl)-4-methylbenzaldehyde?
The canonical SMILES for 3-(3-hydroxyphenyl)-4-methylbenzaldehyde is Cc1ccc(C=O)cc1-c1cccc(O)c1.
What is the InChIKey of 3-(3-hydroxyphenyl)-4-methylbenzaldehyde?
The InChIKey is GCSHJTRNEINZSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O2/c1-10-5-6-11(9-15)7-14(10)12-3-2-4-13(16)8-12/h2-9,16H,1H3.
What are the key properties of 3-(3-hydroxyphenyl)-4-methylbenzaldehyde?
3-(3-hydroxyphenyl)-4-methylbenzaldehyde 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-(3-hydroxyphenyl)-4-methylbenzaldehyde is sourced from PubChem (CID 39231630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).