2-[(3-chlorophenyl)methoxy]-5-methylbenzaldehyde

C15H13ClO2 — CID 55206091

IUPAC2-[(3-chlorophenyl)methoxy]-5-methylbenzaldehyde
SMILESCc1ccc(OCc2cccc(Cl)c2)c(C=O)c1
InChIInChI=1S/C15H13ClO2/c1-11-5-6-15(13(7-11)9-17)18-10-12-3-2-4-14(16)8-12/h2-9H,10H2,1H3
InChIKeyVFHXISZKHXPIHM-UHFFFAOYSA-N
MW260.72 g/mol
LogP4.04
Rot. Bonds4

About 2-[(3-chlorophenyl)methoxy]-5-methylbenzaldehyde

2-[(3-chlorophenyl)methoxy]-5-methylbenzaldehyde (PubChem CID 55206091) has the molecular formula C15H13ClO2 and a molecular weight of 260.72 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methoxy]-5-methylbenzaldehyde.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methoxy]-5-methylbenzaldehyde
PubChem CID55206091
Molecular FormulaC15H13ClO2
Molecular Weight260.72 g/mol
Exact Mass260.06
IUPAC Name2-[(3-chlorophenyl)methoxy]-5-methylbenzaldehyde
SMILESCc1ccc(OCc2cccc(Cl)c2)c(C=O)c1
InChIInChI=1S/C15H13ClO2/c1-11-5-6-15(13(7-11)9-17)18-10-12-3-2-4-14(16)8-12/h2-9H,10H2,1H3
InChIKeyVFHXISZKHXPIHM-UHFFFAOYSA-N
XLogP4.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-2-phenylmethoxybenzaldehyde
CID 1247883
ethane;5-methyl-2-phenylmethoxybenzaldehyde
CID 142857349
5-chloro-2-[(4-methylphenyl)methoxy]benzaldehyde
CID 892242
2-[(2,5-dichlorophenyl)methoxy]-5-methylbenzaldehyde
CID 65317531
5-methyl-2-(pyridin-3-ylmethoxy)benzaldehyde
CID 63324438
2-[(5-chloro-2-methoxyphenyl)methoxy]-5-methylbenzaldehyde
CID 63324787
5-methyl-2-[(4-propan-2-ylphenyl)methoxy]benzaldehyde
CID 63529851
5-chloro-2-[(2,5-dimethylphenyl)methoxy]benzaldehyde
CID 63530846
5-chloro-2-[(3-nitrophenyl)methoxy]benzaldehyde
CID 43244315
1-[2-[(3-chlorophenyl)methoxy]-4-methylphenyl]ethanone
CID 60701262
5-chloro-2-[(2-methoxy-5-methylphenyl)methoxy]benzaldehyde
CID 60734242
2-[4-(2-formyl-4-methylphenoxy)butoxy]-5-methylbenzaldehyde
CID 51358055

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methoxy]-5-methylbenzaldehyde?
The IUPAC name of 2-[(3-chlorophenyl)methoxy]-5-methylbenzaldehyde (CID 55206091) is 2-[(3-chlorophenyl)methoxy]-5-methylbenzaldehyde.
What is the SMILES notation for 2-[(3-chlorophenyl)methoxy]-5-methylbenzaldehyde?
The canonical SMILES for 2-[(3-chlorophenyl)methoxy]-5-methylbenzaldehyde is Cc1ccc(OCc2cccc(Cl)c2)c(C=O)c1.
What is the InChIKey of 2-[(3-chlorophenyl)methoxy]-5-methylbenzaldehyde?
The InChIKey is VFHXISZKHXPIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO2/c1-11-5-6-15(13(7-11)9-17)18-10-12-3-2-4-14(16)8-12/h2-9H,10H2,1H3.
What are the key properties of 2-[(3-chlorophenyl)methoxy]-5-methylbenzaldehyde?
2-[(3-chlorophenyl)methoxy]-5-methylbenzaldehyde has a molecular weight of 260.72 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methoxy]-5-methylbenzaldehyde is sourced from PubChem (CID 55206091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).