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

C15H13ClO3 — CID 3725223

IUPAC3-[(2-chlorophenyl)methoxy]-4-methoxybenzaldehyde
SMILESCOc1ccc(C=O)cc1OCc1ccccc1Cl
InChIInChI=1S/C15H13ClO3/c1-18-14-7-6-11(9-17)8-15(14)19-10-12-4-2-3-5-13(12)16/h2-9H,10H2,1H3
InChIKeyJPLWJAASTJIKBC-UHFFFAOYSA-N
MW276.72 g/mol
LogP3.74
Rot. Bonds5

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

3-[(2-chlorophenyl)methoxy]-4-methoxybenzaldehyde (PubChem CID 3725223) has the molecular formula C15H13ClO3 and a molecular weight of 276.72 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methoxy]-4-methoxybenzaldehyde.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methoxy]-4-methoxybenzaldehyde
PubChem CID3725223
Molecular FormulaC15H13ClO3
Molecular Weight276.72 g/mol
Exact Mass276.06
IUPAC Name3-[(2-chlorophenyl)methoxy]-4-methoxybenzaldehyde
SMILESCOc1ccc(C=O)cc1OCc1ccccc1Cl
InChIInChI=1S/C15H13ClO3/c1-18-14-7-6-11(9-17)8-15(14)19-10-12-4-2-3-5-13(12)16/h2-9H,10H2,1H3
InChIKeyJPLWJAASTJIKBC-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

4-methoxy-3-[(2-methoxyphenyl)methoxy]benzaldehyde
CID 60666587
4-[(2-chlorophenyl)methoxy]-3,5-dimethoxybenzaldehyde
CID 580684
3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxybenzaldehyde
CID 1276566
2-[[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]guanidine
CID 168592710
[[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]urea
CID 900207
[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylidenehydrazine
CID 23944748
3-[(4-chlorophenyl)methoxy]-4-methoxybenzaldehyde
CID 876941
N-[(Z)-[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]benzenesulfonamide
CID 6294716
N-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-methylmethanamine
CID 23908591
5-[[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 4666478
3-chloro-N-[[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]-4-methylaniline
CID 110842449
1-[(2-chlorophenyl)methoxy]-2-methoxy-4-[(Z)-2-nitroprop-1-enyl]benzene
CID 12005127

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methoxy]-4-methoxybenzaldehyde?
The IUPAC name of 3-[(2-chlorophenyl)methoxy]-4-methoxybenzaldehyde (CID 3725223) is 3-[(2-chlorophenyl)methoxy]-4-methoxybenzaldehyde.
What is the SMILES notation for 3-[(2-chlorophenyl)methoxy]-4-methoxybenzaldehyde?
The canonical SMILES for 3-[(2-chlorophenyl)methoxy]-4-methoxybenzaldehyde is COc1ccc(C=O)cc1OCc1ccccc1Cl.
What is the InChIKey of 3-[(2-chlorophenyl)methoxy]-4-methoxybenzaldehyde?
The InChIKey is JPLWJAASTJIKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO3/c1-18-14-7-6-11(9-17)8-15(14)19-10-12-4-2-3-5-13(12)16/h2-9H,10H2,1H3.
What are the key properties of 3-[(2-chlorophenyl)methoxy]-4-methoxybenzaldehyde?
3-[(2-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-[(2-chlorophenyl)methoxy]-4-methoxybenzaldehyde is sourced from PubChem (CID 3725223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).