3-(3-formyl-2-methylphenyl)-2-methylbenzaldehyde

C16H14O2 — CID 86188059

IUPAC3-(3-formyl-2-methylphenyl)-2-methylbenzaldehyde
SMILESCc1c(C=O)cccc1-c1cccc(C=O)c1C
InChIInChI=1S/C16H14O2/c1-11-13(9-17)5-3-7-15(11)16-8-4-6-14(10-18)12(16)2/h3-10H,1-2H3
InChIKeyJEHOKLPWNYBDEO-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.60
Rot. Bonds3

About 3-(3-formyl-2-methylphenyl)-2-methylbenzaldehyde

3-(3-formyl-2-methylphenyl)-2-methylbenzaldehyde (PubChem CID 86188059) has the molecular formula C16H14O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-(3-formyl-2-methylphenyl)-2-methylbenzaldehyde.

Molecular Properties

Compound Name3-(3-formyl-2-methylphenyl)-2-methylbenzaldehyde
PubChem CID86188059
Molecular FormulaC16H14O2
Molecular Weight238.29 g/mol
Exact Mass238.10
IUPAC Name3-(3-formyl-2-methylphenyl)-2-methylbenzaldehyde
SMILESCc1c(C=O)cccc1-c1cccc(C=O)c1C
InChIInChI=1S/C16H14O2/c1-11-13(9-17)5-3-7-15(11)16-8-4-6-14(10-18)12(16)2/h3-10H,1-2H3
InChIKeyJEHOKLPWNYBDEO-UHFFFAOYSA-N
XLogP3.60
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(3-formyl-2-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-methylbenzaldehyde
CID 10806410
3-[3-(2-hydroxyethoxy)-2-methylphenyl]-2-methylbenzaldehyde
CID 59544470
2,3-dimethylbenzaldehyde;hydrazine
CID 158628869
2-methyl-3-(2-methyl-4-pyridinyl)benzaldehyde
CID 172651416
2-methyl-3-(methyliminomethyl)benzaldehyde
CID 169204727
2-[2,3,4-tris(2-formylphenyl)-6-methyl-5-(2,3,4,5,6-pentamethylphenyl)phenyl]benzaldehyde
CID 163215546
3-bromo-2-methylbenzaldehyde;methoxymethane
CID 142299321
2-[2-(oxo(113C)methyl)phenyl](13C2)benzaldehyde
CID 169434237
2-fluoro-3-(4-methylphenyl)benzaldehyde
CID 171367900
benzaldehyde;2,3-dimethylbenzaldehyde
CID 174844516
3-hydroxy-2-methylbenzaldehyde;phenol
CID 87138330
3-(diethylamino)-2-methylbenzaldehyde
CID 88960180

Frequently Asked Questions

What is the IUPAC name of 3-(3-formyl-2-methylphenyl)-2-methylbenzaldehyde?
The IUPAC name of 3-(3-formyl-2-methylphenyl)-2-methylbenzaldehyde (CID 86188059) is 3-(3-formyl-2-methylphenyl)-2-methylbenzaldehyde.
What is the SMILES notation for 3-(3-formyl-2-methylphenyl)-2-methylbenzaldehyde?
The canonical SMILES for 3-(3-formyl-2-methylphenyl)-2-methylbenzaldehyde is Cc1c(C=O)cccc1-c1cccc(C=O)c1C.
What is the InChIKey of 3-(3-formyl-2-methylphenyl)-2-methylbenzaldehyde?
The InChIKey is JEHOKLPWNYBDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O2/c1-11-13(9-17)5-3-7-15(11)16-8-4-6-14(10-18)12(16)2/h3-10H,1-2H3.
What are the key properties of 3-(3-formyl-2-methylphenyl)-2-methylbenzaldehyde?
3-(3-formyl-2-methylphenyl)-2-methylbenzaldehyde has a molecular weight of 238.29 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-formyl-2-methylphenyl)-2-methylbenzaldehyde is sourced from PubChem (CID 86188059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).