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

C15H13ClO3 — CID 876941

IUPAC3-[(4-chlorophenyl)methoxy]-4-methoxybenzaldehyde
SMILESCOc1ccc(C=O)cc1OCc1ccc(Cl)cc1
InChIInChI=1S/C15H13ClO3/c1-18-14-7-4-12(9-17)8-15(14)19-10-11-2-5-13(16)6-3-11/h2-9H,10H2,1H3
InChIKeyYAOBGNSGZATOPE-UHFFFAOYSA-N
MW276.72 g/mol
LogP3.74
Rot. Bonds5

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

3-[(4-chlorophenyl)methoxy]-4-methoxybenzaldehyde (PubChem CID 876941) has the molecular formula C15H13ClO3 and a molecular weight of 276.72 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methoxy]-4-methoxybenzaldehyde.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methoxy]-4-methoxybenzaldehyde
PubChem CID876941
Molecular FormulaC15H13ClO3
Molecular Weight276.72 g/mol
Exact Mass276.06
IUPAC Name3-[(4-chlorophenyl)methoxy]-4-methoxybenzaldehyde
SMILESCOc1ccc(C=O)cc1OCc1ccc(Cl)cc1
InChIInChI=1S/C15H13ClO3/c1-18-14-7-4-12(9-17)8-15(14)19-10-11-2-5-13(16)6-3-11/h2-9H,10H2,1H3
InChIKeyYAOBGNSGZATOPE-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

3-chloro-4-[(4-chlorophenyl)methoxy]benzaldehyde
CID 818787
3-[(4-chlorophenyl)methoxy]-4-(difluoromethoxy)benzaldehyde
CID 122475460
(E)-3-[3-[(4-chlorophenyl)methoxy]-4-methoxyphenyl]prop-2-enamide
CID 91685648
4-[[4-(hydroxymethyl)phenyl]methoxy]-3-methoxybenzaldehyde
CID 115969367
2-fluoro-5-[(5-formyl-2-methoxyphenoxy)methyl]benzonitrile
CID 103895057
3-methoxy-4-phenylmethoxybenzaldehyde
CID 161042191
(E)-3-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]prop-2-enamide
CID 91685134
3-[(2-chlorophenyl)methoxy]-4-methoxybenzaldehyde
CID 3725223
3-ethoxy-4-[(3-fluoro-4-methoxyphenyl)methoxy]benzaldehyde
CID 78767323
3-fluoro-4-[(3-fluoro-4-methoxyphenyl)methoxy]benzaldehyde
CID 103850009
4-[[4-(hydroxymethoxy)phenyl]methoxy]-3-methoxybenzaldehyde
CID 168793636
(NE)-N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine
CID 5350145

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methoxy]-4-methoxybenzaldehyde?
The IUPAC name of 3-[(4-chlorophenyl)methoxy]-4-methoxybenzaldehyde (CID 876941) is 3-[(4-chlorophenyl)methoxy]-4-methoxybenzaldehyde.
What is the SMILES notation for 3-[(4-chlorophenyl)methoxy]-4-methoxybenzaldehyde?
The canonical SMILES for 3-[(4-chlorophenyl)methoxy]-4-methoxybenzaldehyde is COc1ccc(C=O)cc1OCc1ccc(Cl)cc1.
What is the InChIKey of 3-[(4-chlorophenyl)methoxy]-4-methoxybenzaldehyde?
The InChIKey is YAOBGNSGZATOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO3/c1-18-14-7-4-12(9-17)8-15(14)19-10-11-2-5-13(16)6-3-11/h2-9H,10H2,1H3.
What are the key properties of 3-[(4-chlorophenyl)methoxy]-4-methoxybenzaldehyde?
3-[(4-chlorophenyl)methoxy]-4-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 3-[(4-chlorophenyl)methoxy]-4-methoxybenzaldehyde is sourced from PubChem (CID 876941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).