2-[(3,4-dimethoxyphenyl)methyl]-4,5-dimethoxybenzaldehyde

C18H20O5 — CID 11034426

IUPAC2-[(3,4-dimethoxyphenyl)methyl]-4,5-dimethoxybenzaldehyde
SMILESCOc1ccc(Cc2cc(OC)c(OC)cc2C=O)cc1OC
InChIInChI=1S/C18H20O5/c1-20-15-6-5-12(8-16(15)21-2)7-13-9-17(22-3)18(23-4)10-14(13)11-19/h5-6,8-11H,7H2,1-4H3
InChIKeyRXFCORKNKTZHDU-UHFFFAOYSA-N
MW316.35 g/mol
LogP3.12
Rot. Bonds7

About 2-[(3,4-dimethoxyphenyl)methyl]-4,5-dimethoxybenzaldehyde

2-[(3,4-dimethoxyphenyl)methyl]-4,5-dimethoxybenzaldehyde (PubChem CID 11034426) has the molecular formula C18H20O5 and a molecular weight of 316.35 g/mol. Its IUPAC name is 2-[(3,4-dimethoxyphenyl)methyl]-4,5-dimethoxybenzaldehyde.

Molecular Properties

Compound Name2-[(3,4-dimethoxyphenyl)methyl]-4,5-dimethoxybenzaldehyde
PubChem CID11034426
Molecular FormulaC18H20O5
Molecular Weight316.35 g/mol
Exact Mass316.13
IUPAC Name2-[(3,4-dimethoxyphenyl)methyl]-4,5-dimethoxybenzaldehyde
SMILESCOc1ccc(Cc2cc(OC)c(OC)cc2C=O)cc1OC
InChIInChI=1S/C18H20O5/c1-20-15-6-5-12(8-16(15)21-2)7-13-9-17(22-3)18(23-4)10-14(13)11-19/h5-6,8-11H,7H2,1-4H3
InChIKeyRXFCORKNKTZHDU-UHFFFAOYSA-N
XLogP3.12
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(3,4-dimethoxyphenyl)methyl]-4,5-dimethoxyphenyl]acetic acid
CID 1209089
4,5-dimethoxy-2-(2-oxoethyl)benzaldehyde
CID 134869051
4,5-dimethoxy-2-(3-oxopropyl)benzaldehyde
CID 117317867
azane;4-benzyl-1,2-dimethoxybenzene
CID 69220644
2-[(3,4-dimethoxyphenyl)methyl]-2-[[2-[(3,4-dimethoxyphenyl)methyl]-4,5-dimethoxyphenyl]methyl]-5,6-dimethoxyindene-1,3-dione
CID 11679092
2-benzyl-4-[[3-[(5-benzyl-2-formyl-4-methoxyphenyl)methyl]-2-trimethylsilylphenyl]methyl]-5-methoxybenzaldehyde
CID 140707306
4-(chloromethyl)-2-methoxybenzaldehyde
CID 141225522
2-(benzenesulfonylmethyl)-4,5-dimethoxybenzaldehyde
CID 102531525
4,5-dimethoxy-2-(2-phenylpropyl)benzaldehyde
CID 87725227
[4-(hydroxymethyl)-2-methoxyphenyl] formate
CID 134186869
ethane;2,4,5-trimethoxybenzaldehyde
CID 144606441
4-(fluoromethyl)-2,5-dimethoxybenzaldehyde
CID 84668094

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethoxyphenyl)methyl]-4,5-dimethoxybenzaldehyde?
The IUPAC name of 2-[(3,4-dimethoxyphenyl)methyl]-4,5-dimethoxybenzaldehyde (CID 11034426) is 2-[(3,4-dimethoxyphenyl)methyl]-4,5-dimethoxybenzaldehyde.
What is the SMILES notation for 2-[(3,4-dimethoxyphenyl)methyl]-4,5-dimethoxybenzaldehyde?
The canonical SMILES for 2-[(3,4-dimethoxyphenyl)methyl]-4,5-dimethoxybenzaldehyde is COc1ccc(Cc2cc(OC)c(OC)cc2C=O)cc1OC.
What is the InChIKey of 2-[(3,4-dimethoxyphenyl)methyl]-4,5-dimethoxybenzaldehyde?
The InChIKey is RXFCORKNKTZHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O5/c1-20-15-6-5-12(8-16(15)21-2)7-13-9-17(22-3)18(23-4)10-14(13)11-19/h5-6,8-11H,7H2,1-4H3.
What are the key properties of 2-[(3,4-dimethoxyphenyl)methyl]-4,5-dimethoxybenzaldehyde?
2-[(3,4-dimethoxyphenyl)methyl]-4,5-dimethoxybenzaldehyde has a molecular weight of 316.35 g/mol, XLogP of 3.12, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethoxyphenyl)methyl]-4,5-dimethoxybenzaldehyde is sourced from PubChem (CID 11034426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).