3-chloro-5-methoxy-4-[(4-methylphenyl)methoxy]benzaldehyde

C16H15ClO3 — CID 570588

IUPAC3-chloro-5-methoxy-4-[(4-methylphenyl)methoxy]benzaldehyde
SMILESCOc1cc(C=O)cc(Cl)c1OCc1ccc(C)cc1
InChIInChI=1S/C16H15ClO3/c1-11-3-5-12(6-4-11)10-20-16-14(17)7-13(9-18)8-15(16)19-2/h3-9H,10H2,1-2H3
InChIKeyANGRDQJZKXBQFY-UHFFFAOYSA-N
MW290.75 g/mol
LogP4.05
Rot. Bonds5

About 3-chloro-5-methoxy-4-[(4-methylphenyl)methoxy]benzaldehyde

3-chloro-5-methoxy-4-[(4-methylphenyl)methoxy]benzaldehyde (PubChem CID 570588) has the molecular formula C16H15ClO3 and a molecular weight of 290.75 g/mol. Its IUPAC name is 3-chloro-5-methoxy-4-[(4-methylphenyl)methoxy]benzaldehyde.

Molecular Properties

Compound Name3-chloro-5-methoxy-4-[(4-methylphenyl)methoxy]benzaldehyde
PubChem CID570588
Molecular FormulaC16H15ClO3
Molecular Weight290.75 g/mol
Exact Mass290.07
IUPAC Name3-chloro-5-methoxy-4-[(4-methylphenyl)methoxy]benzaldehyde
SMILESCOc1cc(C=O)cc(Cl)c1OCc1ccc(C)cc1
InChIInChI=1S/C16H15ClO3/c1-11-3-5-12(6-4-11)10-20-16-14(17)7-13(9-18)8-15(16)19-2/h3-9H,10H2,1-2H3
InChIKeyANGRDQJZKXBQFY-UHFFFAOYSA-N
XLogP4.05
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-methoxy-4-[(4-methylphenyl)methoxy]benzaldehyde?
The IUPAC name of 3-chloro-5-methoxy-4-[(4-methylphenyl)methoxy]benzaldehyde (CID 570588) is 3-chloro-5-methoxy-4-[(4-methylphenyl)methoxy]benzaldehyde.
What is the SMILES notation for 3-chloro-5-methoxy-4-[(4-methylphenyl)methoxy]benzaldehyde?
The canonical SMILES for 3-chloro-5-methoxy-4-[(4-methylphenyl)methoxy]benzaldehyde is COc1cc(C=O)cc(Cl)c1OCc1ccc(C)cc1.
What is the InChIKey of 3-chloro-5-methoxy-4-[(4-methylphenyl)methoxy]benzaldehyde?
The InChIKey is ANGRDQJZKXBQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO3/c1-11-3-5-12(6-4-11)10-20-16-14(17)7-13(9-18)8-15(16)19-2/h3-9H,10H2,1-2H3.
What are the key properties of 3-chloro-5-methoxy-4-[(4-methylphenyl)methoxy]benzaldehyde?
3-chloro-5-methoxy-4-[(4-methylphenyl)methoxy]benzaldehyde has a molecular weight of 290.75 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-methoxy-4-[(4-methylphenyl)methoxy]benzaldehyde is sourced from PubChem (CID 570588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).