3-chloro-2-[(2-methylphenyl)methoxy]benzaldehyde

C15H13ClO2 — CID 112611304

IUPAC3-chloro-2-[(2-methylphenyl)methoxy]benzaldehyde
SMILESCc1ccccc1COc1c(Cl)cccc1C=O
InChIInChI=1S/C15H13ClO2/c1-11-5-2-3-6-13(11)10-18-15-12(9-17)7-4-8-14(15)16/h2-9H,10H2,1H3
InChIKeyIUJGEVXRWOTKJW-UHFFFAOYSA-N
MW260.72 g/mol
LogP4.04
Rot. Bonds4

About 3-chloro-2-[(2-methylphenyl)methoxy]benzaldehyde

3-chloro-2-[(2-methylphenyl)methoxy]benzaldehyde (PubChem CID 112611304) has the molecular formula C15H13ClO2 and a molecular weight of 260.72 g/mol. Its IUPAC name is 3-chloro-2-[(2-methylphenyl)methoxy]benzaldehyde.

Molecular Properties

Compound Name3-chloro-2-[(2-methylphenyl)methoxy]benzaldehyde
PubChem CID112611304
Molecular FormulaC15H13ClO2
Molecular Weight260.72 g/mol
Exact Mass260.06
IUPAC Name3-chloro-2-[(2-methylphenyl)methoxy]benzaldehyde
SMILESCc1ccccc1COc1c(Cl)cccc1C=O
InChIInChI=1S/C15H13ClO2/c1-11-5-2-3-6-13(11)10-18-15-12(9-17)7-4-8-14(15)16/h2-9H,10H2,1H3
InChIKeyIUJGEVXRWOTKJW-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

3-chloro-2-[(2-chlorophenyl)methoxy]benzaldehyde
CID 112611328
3-chloro-2-[(2,5-dichlorophenyl)methoxy]benzaldehyde
CID 112611220
3-chloro-2-[(2-methylphenyl)methoxy]benzoic acid
CID 112612002
N-[[3-chloro-2-[(2-methylphenyl)methoxy]phenyl]methyl]ethanamine
CID 115952978
5-bromo-2-[(2-chlorophenyl)methoxy]-3-methylbenzaldehyde
CID 112620643
3-chloro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]benzaldehyde
CID 112611517
3-chloro-2-[(2,5-difluorophenyl)methoxy]benzaldehyde
CID 112611434
3-chloro-2-[(2-fluoro-4-methoxyphenyl)methoxy]benzaldehyde
CID 102876870
2-[(2-chlorophenyl)methoxy]benzaldehyde
CID 693298
3-chloro-2-(2-ethylbutoxy)benzaldehyde
CID 112611417
3-chloro-2-(3-methylbut-2-enoxy)benzaldehyde
CID 112611214
3-[(2-chloro-6-formylphenoxy)methyl]-4-methoxybenzonitrile
CID 115955624

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[(2-methylphenyl)methoxy]benzaldehyde?
The IUPAC name of 3-chloro-2-[(2-methylphenyl)methoxy]benzaldehyde (CID 112611304) is 3-chloro-2-[(2-methylphenyl)methoxy]benzaldehyde.
What is the SMILES notation for 3-chloro-2-[(2-methylphenyl)methoxy]benzaldehyde?
The canonical SMILES for 3-chloro-2-[(2-methylphenyl)methoxy]benzaldehyde is Cc1ccccc1COc1c(Cl)cccc1C=O.
What is the InChIKey of 3-chloro-2-[(2-methylphenyl)methoxy]benzaldehyde?
The InChIKey is IUJGEVXRWOTKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO2/c1-11-5-2-3-6-13(11)10-18-15-12(9-17)7-4-8-14(15)16/h2-9H,10H2,1H3.
What are the key properties of 3-chloro-2-[(2-methylphenyl)methoxy]benzaldehyde?
3-chloro-2-[(2-methylphenyl)methoxy]benzaldehyde 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 3-chloro-2-[(2-methylphenyl)methoxy]benzaldehyde is sourced from PubChem (CID 112611304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).