5-[bis(3-formyl-4-methoxyphenyl)-hydroxymethyl]-2-methoxybenzaldehyde

C25H22O7 — CID 71479368

IUPAC5-[bis(3-formyl-4-methoxyphenyl)-hydroxymethyl]-2-methoxybenzaldehyde
SMILESCOc1ccc(C(O)(c2ccc(OC)c(C=O)c2)c2ccc(OC)c(C=O)c2)cc1C=O
InChIInChI=1S/C25H22O7/c1-30-22-7-4-19(10-16(22)13-26)25(29,20-5-8-23(31-2)17(11-20)14-27)21-6-9-24(32-3)18(12-21)15-28/h4-15,29H,1-3H3
InChIKeyUXXMJIULWAGWDA-UHFFFAOYSA-N
MW434.44 g/mol
LogP3.43
Rot. Bonds9

About 5-[bis(3-formyl-4-methoxyphenyl)-hydroxymethyl]-2-methoxybenzaldehyde

5-[bis(3-formyl-4-methoxyphenyl)-hydroxymethyl]-2-methoxybenzaldehyde (PubChem CID 71479368) has the molecular formula C25H22O7 and a molecular weight of 434.44 g/mol. Its IUPAC name is 5-[bis(3-formyl-4-methoxyphenyl)-hydroxymethyl]-2-methoxybenzaldehyde.

Molecular Properties

Compound Name5-[bis(3-formyl-4-methoxyphenyl)-hydroxymethyl]-2-methoxybenzaldehyde
PubChem CID71479368
Molecular FormulaC25H22O7
Molecular Weight434.44 g/mol
Exact Mass434.14
IUPAC Name5-[bis(3-formyl-4-methoxyphenyl)-hydroxymethyl]-2-methoxybenzaldehyde
SMILESCOc1ccc(C(O)(c2ccc(OC)c(C=O)c2)c2ccc(OC)c(C=O)c2)cc1C=O
InChIInChI=1S/C25H22O7/c1-30-22-7-4-19(10-16(22)13-26)25(29,20-5-8-23(31-2)17(11-20)14-27)21-6-9-24(32-3)18(12-21)15-28/h4-15,29H,1-3H3
InChIKeyUXXMJIULWAGWDA-UHFFFAOYSA-N
XLogP3.43
TPSA99.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.44
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-5-[tris(3-formyl-4-methoxyphenyl)methyl]benzaldehyde
CID 56838314
2-methoxy-5-(2-methylbut-3-en-2-yl)benzaldehyde
CID 11333181
3-formyl-4-methoxybenzenesulfinic acid
CID 138566967
3-formyl-4-methoxybenzamide
CID 23141386
3-(3-formyl-4-methoxyphenyl)prop-2-enoic acid
CID 123194218
2-methoxy-5-(methylamino)benzaldehyde
CID 91654246
3-(3-formyl-4-methoxyphenyl)prop-2-enamide
CID 169481994
2-(hydroxymethyl)-2-methylpropane-1,3-diol;4-methoxybenzene-1,3-dicarbaldehyde
CID 174155559
5-[4-(dimethylamino)phenyl]-2-methoxybenzaldehyde
CID 54912342
S-[2-hydroxy-4-[hydroxy-bis(3-hydroxy-4-methoxyphenyl)methyl]phenyl] methanethioate
CID 89286429
5-(2,6-dimethoxyphenyl)-2-methoxybenzaldehyde
CID 116810898
5-(1-aminoethyl)-2-methoxybenzaldehyde
CID 105438045

Frequently Asked Questions

What is the IUPAC name of 5-[bis(3-formyl-4-methoxyphenyl)-hydroxymethyl]-2-methoxybenzaldehyde?
The IUPAC name of 5-[bis(3-formyl-4-methoxyphenyl)-hydroxymethyl]-2-methoxybenzaldehyde (CID 71479368) is 5-[bis(3-formyl-4-methoxyphenyl)-hydroxymethyl]-2-methoxybenzaldehyde.
What is the SMILES notation for 5-[bis(3-formyl-4-methoxyphenyl)-hydroxymethyl]-2-methoxybenzaldehyde?
The canonical SMILES for 5-[bis(3-formyl-4-methoxyphenyl)-hydroxymethyl]-2-methoxybenzaldehyde is COc1ccc(C(O)(c2ccc(OC)c(C=O)c2)c2ccc(OC)c(C=O)c2)cc1C=O.
What is the InChIKey of 5-[bis(3-formyl-4-methoxyphenyl)-hydroxymethyl]-2-methoxybenzaldehyde?
The InChIKey is UXXMJIULWAGWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22O7/c1-30-22-7-4-19(10-16(22)13-26)25(29,20-5-8-23(31-2)17(11-20)14-27)21-6-9-24(32-3)18(12-21)15-28/h4-15,29H,1-3H3.
What are the key properties of 5-[bis(3-formyl-4-methoxyphenyl)-hydroxymethyl]-2-methoxybenzaldehyde?
5-[bis(3-formyl-4-methoxyphenyl)-hydroxymethyl]-2-methoxybenzaldehyde has a molecular weight of 434.44 g/mol, XLogP of 3.43, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[bis(3-formyl-4-methoxyphenyl)-hydroxymethyl]-2-methoxybenzaldehyde is sourced from PubChem (CID 71479368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).