2-chloro-3,4-bis[(4-methoxyphenyl)methoxy]benzaldehyde

C23H21ClO5 — CID 88918697

IUPAC2-chloro-3,4-bis[(4-methoxyphenyl)methoxy]benzaldehyde
SMILESCOc1ccc(COc2ccc(C=O)c(Cl)c2OCc2ccc(OC)cc2)cc1
InChIInChI=1S/C23H21ClO5/c1-26-19-8-3-16(4-9-19)14-28-21-12-7-18(13-25)22(24)23(21)29-15-17-5-10-20(27-2)11-6-17/h3-13H,14-15H2,1-2H3
InChIKeyVWSVIHMZILESMM-UHFFFAOYSA-N
MW412.87 g/mol
LogP5.33
Rot. Bonds9

About 2-chloro-3,4-bis[(4-methoxyphenyl)methoxy]benzaldehyde

2-chloro-3,4-bis[(4-methoxyphenyl)methoxy]benzaldehyde (PubChem CID 88918697) has the molecular formula C23H21ClO5 and a molecular weight of 412.87 g/mol. Its IUPAC name is 2-chloro-3,4-bis[(4-methoxyphenyl)methoxy]benzaldehyde.

Molecular Properties

Compound Name2-chloro-3,4-bis[(4-methoxyphenyl)methoxy]benzaldehyde
PubChem CID88918697
Molecular FormulaC23H21ClO5
Molecular Weight412.87 g/mol
Exact Mass412.11
IUPAC Name2-chloro-3,4-bis[(4-methoxyphenyl)methoxy]benzaldehyde
SMILESCOc1ccc(COc2ccc(C=O)c(Cl)c2OCc2ccc(OC)cc2)cc1
InChIInChI=1S/C23H21ClO5/c1-26-19-8-3-16(4-9-19)14-28-21-12-7-18(13-25)22(24)23(21)29-15-17-5-10-20(27-2)11-6-17/h3-13H,14-15H2,1-2H3
InChIKeyVWSVIHMZILESMM-UHFFFAOYSA-N
XLogP5.33
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.87
LogP ≤ 55.33
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

CID 90127615
CID 90127615
2-chloro-4-[(4-methoxyphenyl)methoxy]benzaldehyde
CID 89247022
2-chloro-1-isocyanato-3,4-bis[(4-methoxyphenyl)methoxy]benzene
CID 58373949
2,4-difluoro-3-[(4-methoxyphenyl)methoxy]benzaldehyde
CID 170431907
2-chloro-N-methoxy-3,4-bis[(4-methoxyphenyl)methoxy]-N-methylbenzamide
CID 118460229
2-[(4-methoxyphenyl)methoxy]-5-nitrobenzaldehyde
CID 28880484
2-chloro-3-methyl-4-phenylmethoxybenzaldehyde
CID 164892231
3-[2-chloro-3,4-bis[(4-methoxyphenyl)methoxy]phenyl]pyridine
CID 58373859
2-[(4-methoxyphenyl)methoxy]-5-(2-trimethylsilylethynyl)benzaldehyde
CID 172541807
4-[(4-methoxyphenyl)methoxy]-3,5-dimethylbenzaldehyde
CID 28880560
3-chloro-5-[(4-methoxyphenyl)methoxy]pyridine-4-carbaldehyde
CID 22607272
9-[2-chloro-3,4-bis[(4-methoxyphenyl)methoxy]phenyl]-2,8,9-trioxononanoic acid
CID 160853535

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3,4-bis[(4-methoxyphenyl)methoxy]benzaldehyde?
The IUPAC name of 2-chloro-3,4-bis[(4-methoxyphenyl)methoxy]benzaldehyde (CID 88918697) is 2-chloro-3,4-bis[(4-methoxyphenyl)methoxy]benzaldehyde.
What is the SMILES notation for 2-chloro-3,4-bis[(4-methoxyphenyl)methoxy]benzaldehyde?
The canonical SMILES for 2-chloro-3,4-bis[(4-methoxyphenyl)methoxy]benzaldehyde is COc1ccc(COc2ccc(C=O)c(Cl)c2OCc2ccc(OC)cc2)cc1.
What is the InChIKey of 2-chloro-3,4-bis[(4-methoxyphenyl)methoxy]benzaldehyde?
The InChIKey is VWSVIHMZILESMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClO5/c1-26-19-8-3-16(4-9-19)14-28-21-12-7-18(13-25)22(24)23(21)29-15-17-5-10-20(27-2)11-6-17/h3-13H,14-15H2,1-2H3.
What are the key properties of 2-chloro-3,4-bis[(4-methoxyphenyl)methoxy]benzaldehyde?
2-chloro-3,4-bis[(4-methoxyphenyl)methoxy]benzaldehyde has a molecular weight of 412.87 g/mol, XLogP of 5.33, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3,4-bis[(4-methoxyphenyl)methoxy]benzaldehyde is sourced from PubChem (CID 88918697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).