5-chloro-2-(2-methoxy-4-methylphenoxy)benzaldehyde

C15H13ClO3 — CID 114844661

IUPAC5-chloro-2-(2-methoxy-4-methylphenoxy)benzaldehyde
SMILESCOc1cc(C)ccc1Oc1ccc(Cl)cc1C=O
InChIInChI=1S/C15H13ClO3/c1-10-3-5-14(15(7-10)18-2)19-13-6-4-12(16)8-11(13)9-17/h3-9H,1-2H3
InChIKeyGTYAYFFFUZJQFJ-UHFFFAOYSA-N
MW276.72 g/mol
LogP4.26
Rot. Bonds4

About 5-chloro-2-(2-methoxy-4-methylphenoxy)benzaldehyde

5-chloro-2-(2-methoxy-4-methylphenoxy)benzaldehyde (PubChem CID 114844661) has the molecular formula C15H13ClO3 and a molecular weight of 276.72 g/mol. Its IUPAC name is 5-chloro-2-(2-methoxy-4-methylphenoxy)benzaldehyde.

Molecular Properties

Compound Name5-chloro-2-(2-methoxy-4-methylphenoxy)benzaldehyde
PubChem CID114844661
Molecular FormulaC15H13ClO3
Molecular Weight276.72 g/mol
Exact Mass276.06
IUPAC Name5-chloro-2-(2-methoxy-4-methylphenoxy)benzaldehyde
SMILESCOc1cc(C)ccc1Oc1ccc(Cl)cc1C=O
InChIInChI=1S/C15H13ClO3/c1-10-3-5-14(15(7-10)18-2)19-13-6-4-12(16)8-11(13)9-17/h3-9H,1-2H3
InChIKeyGTYAYFFFUZJQFJ-UHFFFAOYSA-N
XLogP4.26
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 54.26
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

2-(2-tert-butyl-5-methylphenoxy)-5-chlorobenzaldehyde
CID 114844809
5-chloro-2-[(2-methoxy-5-methylphenyl)methoxy]benzaldehyde
CID 60734242
5-chloro-2-[2-(2,5-dimethylphenoxy)ethoxy]benzaldehyde
CID 20992054
2-[(5-chloro-2-methoxyphenyl)methoxy]-5-methylbenzaldehyde
CID 63324787
1-[4-chloro-2-(chloromethyl)phenoxy]-2-methoxy-4-methylbenzene
CID 114846903
2-(4-bromo-2-chlorophenoxy)-5-chlorobenzaldehyde
CID 114844783
2-(2,3-dichlorophenoxy)-5-methylbenzaldehyde
CID 114054289
2-(2,5-difluorophenoxy)-5-methylbenzaldehyde
CID 114054339
ethane;2-(4-methoxyphenoxy)-5-methylbenzaldehyde
CID 143820051
5-chloro-2-[(4-methylphenyl)methoxy]benzaldehyde
CID 892242
5-chloro-2-[(2,5-dimethylphenyl)methoxy]benzaldehyde
CID 63530846
5-chloro-2-(2-methyl-4-nitrophenoxy)benzaldehyde
CID 114844980

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2-methoxy-4-methylphenoxy)benzaldehyde?
The IUPAC name of 5-chloro-2-(2-methoxy-4-methylphenoxy)benzaldehyde (CID 114844661) is 5-chloro-2-(2-methoxy-4-methylphenoxy)benzaldehyde.
What is the SMILES notation for 5-chloro-2-(2-methoxy-4-methylphenoxy)benzaldehyde?
The canonical SMILES for 5-chloro-2-(2-methoxy-4-methylphenoxy)benzaldehyde is COc1cc(C)ccc1Oc1ccc(Cl)cc1C=O.
What is the InChIKey of 5-chloro-2-(2-methoxy-4-methylphenoxy)benzaldehyde?
The InChIKey is GTYAYFFFUZJQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO3/c1-10-3-5-14(15(7-10)18-2)19-13-6-4-12(16)8-11(13)9-17/h3-9H,1-2H3.
What are the key properties of 5-chloro-2-(2-methoxy-4-methylphenoxy)benzaldehyde?
5-chloro-2-(2-methoxy-4-methylphenoxy)benzaldehyde has a molecular weight of 276.72 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2-methoxy-4-methylphenoxy)benzaldehyde is sourced from PubChem (CID 114844661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).