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

C16H14O4 — CID 15694387

IUPAC2-(2-formyl-6-methoxyphenyl)-3-methoxybenzaldehyde
SMILESCOc1cccc(C=O)c1-c1c(C=O)cccc1OC
InChIInChI=1S/C16H14O4/c1-19-13-7-3-5-11(9-17)15(13)16-12(10-18)6-4-8-14(16)20-2/h3-10H,1-2H3
InChIKeyQJUXQMHFOFVAJZ-UHFFFAOYSA-N
MW270.28 g/mol
LogP3.00
Rot. Bonds5

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

2-(2-formyl-6-methoxyphenyl)-3-methoxybenzaldehyde (PubChem CID 15694387) has the molecular formula C16H14O4 and a molecular weight of 270.28 g/mol. Its IUPAC name is 2-(2-formyl-6-methoxyphenyl)-3-methoxybenzaldehyde.

Molecular Properties

Compound Name2-(2-formyl-6-methoxyphenyl)-3-methoxybenzaldehyde
PubChem CID15694387
Molecular FormulaC16H14O4
Molecular Weight270.28 g/mol
Exact Mass270.09
IUPAC Name2-(2-formyl-6-methoxyphenyl)-3-methoxybenzaldehyde
SMILESCOc1cccc(C=O)c1-c1c(C=O)cccc1OC
InChIInChI=1S/C16H14O4/c1-19-13-7-3-5-11(9-17)15(13)16-12(10-18)6-4-8-14(16)20-2/h3-10H,1-2H3
InChIKeyQJUXQMHFOFVAJZ-UHFFFAOYSA-N
XLogP3.00
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-formyl-6-methoxyphenyl)-3-methylbenzaldehyde
CID 175847419
2-hydroxy-3-methoxybenzaldehyde
CID 8991
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
carbanide;ethane;2-methoxybenzaldehyde;yttrium
CID 160914428
ethene;2-hydroxy-3-methoxybenzaldehyde
CID 175162627
2-ethenyl-3-methoxybenzaldehyde
CID 10487197
3-methoxy-2-methylselanylbenzaldehyde
CID 140629309
2-(2,6-dimethoxyphenyl)-4-methylbenzaldehyde
CID 116810900
3-methoxy-2-(trifluoromethyl)benzaldehyde
CID 73012639

Frequently Asked Questions

What is the IUPAC name of 2-(2-formyl-6-methoxyphenyl)-3-methoxybenzaldehyde?
The IUPAC name of 2-(2-formyl-6-methoxyphenyl)-3-methoxybenzaldehyde (CID 15694387) is 2-(2-formyl-6-methoxyphenyl)-3-methoxybenzaldehyde.
What is the SMILES notation for 2-(2-formyl-6-methoxyphenyl)-3-methoxybenzaldehyde?
The canonical SMILES for 2-(2-formyl-6-methoxyphenyl)-3-methoxybenzaldehyde is COc1cccc(C=O)c1-c1c(C=O)cccc1OC.
What is the InChIKey of 2-(2-formyl-6-methoxyphenyl)-3-methoxybenzaldehyde?
The InChIKey is QJUXQMHFOFVAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O4/c1-19-13-7-3-5-11(9-17)15(13)16-12(10-18)6-4-8-14(16)20-2/h3-10H,1-2H3.
What are the key properties of 2-(2-formyl-6-methoxyphenyl)-3-methoxybenzaldehyde?
2-(2-formyl-6-methoxyphenyl)-3-methoxybenzaldehyde has a molecular weight of 270.28 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-formyl-6-methoxyphenyl)-3-methoxybenzaldehyde is sourced from PubChem (CID 15694387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).