4-[(3-bromo-2-methylphenyl)methoxy]-3-chlorobenzaldehyde

C15H12BrClO2 — CID 155818963

IUPAC4-[(3-bromo-2-methylphenyl)methoxy]-3-chlorobenzaldehyde
SMILESCc1c(Br)cccc1COc1ccc(C=O)cc1Cl
InChIInChI=1S/C15H12BrClO2/c1-10-12(3-2-4-13(10)16)9-19-15-6-5-11(8-18)7-14(15)17/h2-8H,9H2,1H3
InChIKeyGGBSFLHTKSUJAE-UHFFFAOYSA-N
MW339.62 g/mol
LogP4.80
Rot. Bonds4

About 4-[(3-bromo-2-methylphenyl)methoxy]-3-chlorobenzaldehyde

4-[(3-bromo-2-methylphenyl)methoxy]-3-chlorobenzaldehyde (PubChem CID 155818963) has the molecular formula C15H12BrClO2 and a molecular weight of 339.62 g/mol. Its IUPAC name is 4-[(3-bromo-2-methylphenyl)methoxy]-3-chlorobenzaldehyde.

Molecular Properties

Compound Name4-[(3-bromo-2-methylphenyl)methoxy]-3-chlorobenzaldehyde
PubChem CID155818963
Molecular FormulaC15H12BrClO2
Molecular Weight339.62 g/mol
Exact Mass337.97
IUPAC Name4-[(3-bromo-2-methylphenyl)methoxy]-3-chlorobenzaldehyde
SMILESCc1c(Br)cccc1COc1ccc(C=O)cc1Cl
InChIInChI=1S/C15H12BrClO2/c1-10-12(3-2-4-13(10)16)9-19-15-6-5-11(8-18)7-14(15)17/h2-8H,9H2,1H3
InChIKeyGGBSFLHTKSUJAE-UHFFFAOYSA-N
XLogP4.80
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.62
LogP ≤ 54.80
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-4-[(6-methyl-2-pyridinyl)methoxy]benzaldehyde
CID 79267100
3-[(2-chlorophenyl)methoxy]-4-methoxybenzaldehyde
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4-[(4-bromo-2-nitrophenyl)methoxy]-3-chlorobenzaldehyde
CID 114381649
3-chloro-4-[(4-chlorophenyl)methoxy]benzaldehyde
CID 818787
4-(2-bromoethoxy)-3-chlorobenzaldehyde
CID 71756025
3-[(2-bromo-4-methylphenoxy)methyl]-4-methoxybenzaldehyde
CID 60778594
4-(1-benzothiophen-3-ylmethoxy)-3-chlorobenzaldehyde
CID 63743151
3-chloro-4-[(2-chloro-4-formylphenoxy)methyl]benzonitrile
CID 102666727
3-[(4-bromo-2,5-dichlorophenoxy)methyl]-2-methylaniline
CID 107656068
3-[(2-chloro-4-formylphenoxy)methyl]benzoic acid
CID 883624
4-but-2-enoxy-3-chlorobenzaldehyde
CID 76914545
4-[2-(4-bromophenoxy)ethoxy]-3-chlorobenzaldehyde
CID 63529195

Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromo-2-methylphenyl)methoxy]-3-chlorobenzaldehyde?
The IUPAC name of 4-[(3-bromo-2-methylphenyl)methoxy]-3-chlorobenzaldehyde (CID 155818963) is 4-[(3-bromo-2-methylphenyl)methoxy]-3-chlorobenzaldehyde.
What is the SMILES notation for 4-[(3-bromo-2-methylphenyl)methoxy]-3-chlorobenzaldehyde?
The canonical SMILES for 4-[(3-bromo-2-methylphenyl)methoxy]-3-chlorobenzaldehyde is Cc1c(Br)cccc1COc1ccc(C=O)cc1Cl.
What is the InChIKey of 4-[(3-bromo-2-methylphenyl)methoxy]-3-chlorobenzaldehyde?
The InChIKey is GGBSFLHTKSUJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClO2/c1-10-12(3-2-4-13(10)16)9-19-15-6-5-11(8-18)7-14(15)17/h2-8H,9H2,1H3.
What are the key properties of 4-[(3-bromo-2-methylphenyl)methoxy]-3-chlorobenzaldehyde?
4-[(3-bromo-2-methylphenyl)methoxy]-3-chlorobenzaldehyde has a molecular weight of 339.62 g/mol, XLogP of 4.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-bromo-2-methylphenyl)methoxy]-3-chlorobenzaldehyde is sourced from PubChem (CID 155818963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).