3-(3-chloro-2-methylphenyl)-4-methoxybenzaldehyde

C15H13ClO2 — CID 82039287

IUPAC3-(3-chloro-2-methylphenyl)-4-methoxybenzaldehyde
SMILESCOc1ccc(C=O)cc1-c1cccc(Cl)c1C
InChIInChI=1S/C15H13ClO2/c1-10-12(4-3-5-14(10)16)13-8-11(9-17)6-7-15(13)18-2/h3-9H,1-2H3
InChIKeyRXNUMYHALYTPTO-UHFFFAOYSA-N
MW260.72 g/mol
LogP4.14
Rot. Bonds3

About 3-(3-chloro-2-methylphenyl)-4-methoxybenzaldehyde

3-(3-chloro-2-methylphenyl)-4-methoxybenzaldehyde (PubChem CID 82039287) has the molecular formula C15H13ClO2 and a molecular weight of 260.72 g/mol. Its IUPAC name is 3-(3-chloro-2-methylphenyl)-4-methoxybenzaldehyde.

Molecular Properties

Compound Name3-(3-chloro-2-methylphenyl)-4-methoxybenzaldehyde
PubChem CID82039287
Molecular FormulaC15H13ClO2
Molecular Weight260.72 g/mol
Exact Mass260.06
IUPAC Name3-(3-chloro-2-methylphenyl)-4-methoxybenzaldehyde
SMILESCOc1ccc(C=O)cc1-c1cccc(Cl)c1C
InChIInChI=1S/C15H13ClO2/c1-10-12(4-3-5-14(10)16)13-8-11(9-17)6-7-15(13)18-2/h3-9H,1-2H3
InChIKeyRXNUMYHALYTPTO-UHFFFAOYSA-N
XLogP4.14
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 54.14
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-(3-chloro-2-methylphenyl)-4,5-dimethoxybenzaldehyde
CID 82039295
3-chloro-4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carbaldehyde
CID 101137815
4-methoxy-3-(4-methylphenyl)benzaldehyde
CID 82038833
N-(3-chloro-2-methylphenyl)-2-(5-formyl-2-methoxyphenoxy)acetamide
CID 28913395
4-methoxy-3-(5-methyl-1H-pyrazol-4-yl)benzaldehyde
CID 39222044
4-methoxy-3-(2-methoxy-5-propylphenyl)benzaldehyde
CID 15714587
3-(4-chloro-3-nitrophenyl)-4-methoxybenzaldehyde
CID 82039651
4-(2,3-dichlorophenyl)-3-methylbenzaldehyde
CID 81448115
3-(4-fluorophenyl)-4-methoxybenzaldehyde
CID 22391234
3-[(2-chlorophenyl)methoxy]-4-methoxybenzaldehyde
CID 3725223
3-(3-chlorophenyl)-4-(trideuteriomethoxy)benzaldehyde
CID 87576249
5-(3-chloro-2-methylphenyl)pyridine-3-carbaldehyde
CID 96599344

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2-methylphenyl)-4-methoxybenzaldehyde?
The IUPAC name of 3-(3-chloro-2-methylphenyl)-4-methoxybenzaldehyde (CID 82039287) is 3-(3-chloro-2-methylphenyl)-4-methoxybenzaldehyde.
What is the SMILES notation for 3-(3-chloro-2-methylphenyl)-4-methoxybenzaldehyde?
The canonical SMILES for 3-(3-chloro-2-methylphenyl)-4-methoxybenzaldehyde is COc1ccc(C=O)cc1-c1cccc(Cl)c1C.
What is the InChIKey of 3-(3-chloro-2-methylphenyl)-4-methoxybenzaldehyde?
The InChIKey is RXNUMYHALYTPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO2/c1-10-12(4-3-5-14(10)16)13-8-11(9-17)6-7-15(13)18-2/h3-9H,1-2H3.
What are the key properties of 3-(3-chloro-2-methylphenyl)-4-methoxybenzaldehyde?
3-(3-chloro-2-methylphenyl)-4-methoxybenzaldehyde has a molecular weight of 260.72 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-2-methylphenyl)-4-methoxybenzaldehyde is sourced from PubChem (CID 82039287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).