2-[(4-chlorophenyl)methoxy]-3-methoxybenzaldehyde

C15H13ClO3 — CID 889254

IUPAC2-[(4-chlorophenyl)methoxy]-3-methoxybenzaldehyde
SMILESCOc1cccc(C=O)c1OCc1ccc(Cl)cc1
InChIInChI=1S/C15H13ClO3/c1-18-14-4-2-3-12(9-17)15(14)19-10-11-5-7-13(16)8-6-11/h2-9H,10H2,1H3
InChIKeyIORIHJOYBMWTAZ-UHFFFAOYSA-N
MW276.72 g/mol
LogP3.74
Rot. Bonds5

About 2-[(4-chlorophenyl)methoxy]-3-methoxybenzaldehyde

2-[(4-chlorophenyl)methoxy]-3-methoxybenzaldehyde (PubChem CID 889254) has the molecular formula C15H13ClO3 and a molecular weight of 276.72 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methoxy]-3-methoxybenzaldehyde.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methoxy]-3-methoxybenzaldehyde
PubChem CID889254
Molecular FormulaC15H13ClO3
Molecular Weight276.72 g/mol
Exact Mass276.06
IUPAC Name2-[(4-chlorophenyl)methoxy]-3-methoxybenzaldehyde
SMILESCOc1cccc(C=O)c1OCc1ccc(Cl)cc1
InChIInChI=1S/C15H13ClO3/c1-18-14-4-2-3-12(9-17)15(14)19-10-11-5-7-13(16)8-6-11/h2-9H,10H2,1H3
InChIKeyIORIHJOYBMWTAZ-UHFFFAOYSA-N
XLogP3.74
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 53.74
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

potassium;3-methoxy-2-phenylmethoxybenzaldehyde;hydroxide
CID 160863194
3-methoxy-2-(pyrimidin-2-ylmethoxy)benzaldehyde
CID 62699930
3-chloro-2-[(3-fluoro-4-methoxyphenyl)methoxy]benzaldehyde
CID 115955681
N-[(E)-[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline
CID 110340211
3-methoxy-2-(methoxymethoxy)benzaldehyde
CID 11644081
4-[[2-[(Z)-[(4-chlorobenzoyl)hydrazinylidene]methyl]-6-methoxyphenoxy]methyl]benzoic acid
CID 126190416
N-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-methoxybenzamide
CID 3336064
2-[(2-bromophenyl)methoxy]-3-methoxybenzaldehyde
CID 1253349
3-(2-methoxyethoxy)-2-phenylmethoxybenzaldehyde
CID 155923644
N-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine;hydrochloride
CID 17290756
2-(2-fluoroethoxy)-3-methoxybenzaldehyde
CID 80693762
5-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-3-propyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1228109

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methoxy]-3-methoxybenzaldehyde?
The IUPAC name of 2-[(4-chlorophenyl)methoxy]-3-methoxybenzaldehyde (CID 889254) is 2-[(4-chlorophenyl)methoxy]-3-methoxybenzaldehyde.
What is the SMILES notation for 2-[(4-chlorophenyl)methoxy]-3-methoxybenzaldehyde?
The canonical SMILES for 2-[(4-chlorophenyl)methoxy]-3-methoxybenzaldehyde is COc1cccc(C=O)c1OCc1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methoxy]-3-methoxybenzaldehyde?
The InChIKey is IORIHJOYBMWTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO3/c1-18-14-4-2-3-12(9-17)15(14)19-10-11-5-7-13(16)8-6-11/h2-9H,10H2,1H3.
What are the key properties of 2-[(4-chlorophenyl)methoxy]-3-methoxybenzaldehyde?
2-[(4-chlorophenyl)methoxy]-3-methoxybenzaldehyde has a molecular weight of 276.72 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methoxy]-3-methoxybenzaldehyde is sourced from PubChem (CID 889254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).