2-(2-formyl-6-methoxyphenyl)-3-methylbenzaldehyde

C16H14O3 — CID 175847419

IUPAC2-(2-formyl-6-methoxyphenyl)-3-methylbenzaldehyde
SMILESCOc1cccc(C=O)c1-c1c(C)cccc1C=O
InChIInChI=1S/C16H14O3/c1-11-5-3-6-12(9-17)15(11)16-13(10-18)7-4-8-14(16)19-2/h3-10H,1-2H3
InChIKeySEGSFPWMCVLZQL-UHFFFAOYSA-N
MW254.29 g/mol
LogP3.30
Rot. Bonds4

About 2-(2-formyl-6-methoxyphenyl)-3-methylbenzaldehyde

2-(2-formyl-6-methoxyphenyl)-3-methylbenzaldehyde (PubChem CID 175847419) has the molecular formula C16H14O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-(2-formyl-6-methoxyphenyl)-3-methylbenzaldehyde.

Molecular Properties

Compound Name2-(2-formyl-6-methoxyphenyl)-3-methylbenzaldehyde
PubChem CID175847419
Molecular FormulaC16H14O3
Molecular Weight254.29 g/mol
Exact Mass254.09
IUPAC Name2-(2-formyl-6-methoxyphenyl)-3-methylbenzaldehyde
SMILESCOc1cccc(C=O)c1-c1c(C)cccc1C=O
InChIInChI=1S/C16H14O3/c1-11-5-3-6-12(9-17)15(11)16-13(10-18)7-4-8-14(16)19-2/h3-10H,1-2H3
InChIKeySEGSFPWMCVLZQL-UHFFFAOYSA-N
XLogP3.30
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-formyl-6-methoxyphenyl)-3-methoxybenzaldehyde
CID 15694387
2-(2-fluoro-6-formylphenyl)-3-methylbenzaldehyde
CID 175847357
5-(2,6-dimethylphenyl)-2,3-dimethoxybenzaldehyde
CID 82038968
2-methoxy-3-(2-methylphenoxy)benzaldehyde
CID 13066662
2-hydroxy-3-methoxybenzaldehyde
CID 8991
2-(2,6-dimethoxyphenyl)-4-methylbenzaldehyde
CID 116810900
2-butyl-3-methoxybenzaldehyde
CID 86170278
3,4,8-trimethylazulene-1-carbaldehyde
CID 23256998
2-hydroxy-3-methoxybenzaldehyde;methane
CID 165075137
copper;bis(2-hydroxy-3-methoxybenzaldehyde)
CID 50897387
2-[2-(hydroxymethyl)phenyl]-3-methoxybenzaldehyde
CID 134898371
5-(2,6-dimethoxyphenyl)-2-methoxybenzaldehyde
CID 116810898

Frequently Asked Questions

What is the IUPAC name of 2-(2-formyl-6-methoxyphenyl)-3-methylbenzaldehyde?
The IUPAC name of 2-(2-formyl-6-methoxyphenyl)-3-methylbenzaldehyde (CID 175847419) is 2-(2-formyl-6-methoxyphenyl)-3-methylbenzaldehyde.
What is the SMILES notation for 2-(2-formyl-6-methoxyphenyl)-3-methylbenzaldehyde?
The canonical SMILES for 2-(2-formyl-6-methoxyphenyl)-3-methylbenzaldehyde is COc1cccc(C=O)c1-c1c(C)cccc1C=O.
What is the InChIKey of 2-(2-formyl-6-methoxyphenyl)-3-methylbenzaldehyde?
The InChIKey is SEGSFPWMCVLZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O3/c1-11-5-3-6-12(9-17)15(11)16-13(10-18)7-4-8-14(16)19-2/h3-10H,1-2H3.
What are the key properties of 2-(2-formyl-6-methoxyphenyl)-3-methylbenzaldehyde?
2-(2-formyl-6-methoxyphenyl)-3-methylbenzaldehyde has a molecular weight of 254.29 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-formyl-6-methoxyphenyl)-3-methylbenzaldehyde is sourced from PubChem (CID 175847419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).