3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxybenzaldehyde

C15H12BrClO3 — CID 1276566

IUPAC3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxybenzaldehyde
SMILESCOc1cc(C=O)cc(Br)c1OCc1ccccc1Cl
InChIInChI=1S/C15H12BrClO3/c1-19-14-7-10(8-18)6-12(16)15(14)20-9-11-4-2-3-5-13(11)17/h2-8H,9H2,1H3
InChIKeyPCBYMWFGUGMTCK-UHFFFAOYSA-N
MW355.62 g/mol
LogP4.50
Rot. Bonds5

About 3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxybenzaldehyde

3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxybenzaldehyde (PubChem CID 1276566) has the molecular formula C15H12BrClO3 and a molecular weight of 355.62 g/mol. Its IUPAC name is 3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxybenzaldehyde.

Molecular Properties

Compound Name3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxybenzaldehyde
PubChem CID1276566
Molecular FormulaC15H12BrClO3
Molecular Weight355.62 g/mol
Exact Mass353.97
IUPAC Name3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxybenzaldehyde
SMILESCOc1cc(C=O)cc(Br)c1OCc1ccccc1Cl
InChIInChI=1S/C15H12BrClO3/c1-19-14-7-10(8-18)6-12(16)15(14)20-9-11-4-2-3-5-13(11)17/h2-8H,9H2,1H3
InChIKeyPCBYMWFGUGMTCK-UHFFFAOYSA-N
XLogP4.50
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.62
LogP ≤ 54.50
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

4-[(2-chlorophenyl)methoxy]-3,5-dimethoxybenzaldehyde
CID 580684
3-bromo-4-[(2-chloro-4-fluorophenyl)methoxy]-5-methoxybenzaldehyde
CID 43622437
3-[3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]prop-2-enoic acid
CID 3525198
3-bromo-5-methoxy-4-(pyrimidin-2-ylmethoxy)benzaldehyde
CID 62700117
3-[(2-chlorophenyl)methoxy]-4-methoxybenzaldehyde
CID 3725223
(4E)-4-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methylidene]-3-methyl-1,2-oxazol-5-one
CID 99889892
6-bromo-2-[(2-chlorophenyl)methoxy]-3-methoxybenzaldehyde
CID 66528864
(2S)-N-[(Z)-[3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-hydroxy-2-phenylacetamide
CID 126152687
4-[(2-bromophenyl)methoxy]-3-iodo-5-methoxybenzaldehyde
CID 598181
3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxybenzaldehyde
CID 883200
3-bromo-4-[(4-bromo-2-fluorophenyl)methoxy]-5-methoxybenzaldehyde
CID 43622448
5-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-1,3-dihydrobenzimidazol-2-one
CID 4084219

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxybenzaldehyde?
The IUPAC name of 3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxybenzaldehyde (CID 1276566) is 3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxybenzaldehyde.
What is the SMILES notation for 3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxybenzaldehyde?
The canonical SMILES for 3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxybenzaldehyde is COc1cc(C=O)cc(Br)c1OCc1ccccc1Cl.
What is the InChIKey of 3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxybenzaldehyde?
The InChIKey is PCBYMWFGUGMTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClO3/c1-19-14-7-10(8-18)6-12(16)15(14)20-9-11-4-2-3-5-13(11)17/h2-8H,9H2,1H3.
What are the key properties of 3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxybenzaldehyde?
3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxybenzaldehyde has a molecular weight of 355.62 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxybenzaldehyde is sourced from PubChem (CID 1276566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).