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

C15H11BrClFO3 — CID 43622437

IUPAC3-bromo-4-[(2-chloro-4-fluorophenyl)methoxy]-5-methoxybenzaldehyde
SMILESCOc1cc(C=O)cc(Br)c1OCc1ccc(F)cc1Cl
InChIInChI=1S/C15H11BrClFO3/c1-20-14-5-9(7-19)4-12(16)15(14)21-8-10-2-3-11(18)6-13(10)17/h2-7H,8H2,1H3
InChIKeyCNXNGGRQICLNAW-UHFFFAOYSA-N
MW373.61 g/mol
LogP4.64
Rot. Bonds5

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

3-bromo-4-[(2-chloro-4-fluorophenyl)methoxy]-5-methoxybenzaldehyde (PubChem CID 43622437) has the molecular formula C15H11BrClFO3 and a molecular weight of 373.61 g/mol. Its IUPAC name is 3-bromo-4-[(2-chloro-4-fluorophenyl)methoxy]-5-methoxybenzaldehyde.

Molecular Properties

Compound Name3-bromo-4-[(2-chloro-4-fluorophenyl)methoxy]-5-methoxybenzaldehyde
PubChem CID43622437
Molecular FormulaC15H11BrClFO3
Molecular Weight373.61 g/mol
Exact Mass371.96
IUPAC Name3-bromo-4-[(2-chloro-4-fluorophenyl)methoxy]-5-methoxybenzaldehyde
SMILESCOc1cc(C=O)cc(Br)c1OCc1ccc(F)cc1Cl
InChIInChI=1S/C15H11BrClFO3/c1-20-14-5-9(7-19)4-12(16)15(14)21-8-10-2-3-11(18)6-13(10)17/h2-7H,8H2,1H3
InChIKeyCNXNGGRQICLNAW-UHFFFAOYSA-N
XLogP4.64
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.61
LogP ≤ 54.64
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

3-bromo-4-[(2-chloro-4-fluorophenyl)methoxy]-5-ethoxybenzaldehyde
CID 66528859
3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxybenzaldehyde
CID 1276566
methyl (E)-3-[3-bromo-4-[(2-chloro-4-fluorophenyl)methoxy]-5-methoxyphenyl]prop-2-enoate
CID 91685221
3-bromo-4-[(4-bromo-2-fluorophenyl)methoxy]-5-methoxybenzaldehyde
CID 43622448
2-[[3-bromo-4-[(2-chloro-4-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]acetic acid
CID 66528222
(2R)-1-[[3-bromo-4-[(2-chloro-4-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]propan-2-ol
CID 51996982
4-[(2-chlorophenyl)methoxy]-3,5-dimethoxybenzaldehyde
CID 580684
4-[(2-chloro-5-fluorophenyl)methoxy]-3,5-dimethylbenzaldehyde
CID 102616192
N'-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-N-(4-fluorophenyl)butanediamide
CID 5217913
3-chloro-4-[(3-fluorophenyl)methoxy]-5-methoxybenzaldehyde
CID 882398
3-bromo-4-[(2-chloro-4-fluorophenyl)methoxy]-5-ethoxybenzoyl chloride
CID 91682344
3-bromo-5-methoxy-4-(pyrimidin-2-ylmethoxy)benzaldehyde
CID 62700117

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-[(2-chloro-4-fluorophenyl)methoxy]-5-methoxybenzaldehyde?
The IUPAC name of 3-bromo-4-[(2-chloro-4-fluorophenyl)methoxy]-5-methoxybenzaldehyde (CID 43622437) is 3-bromo-4-[(2-chloro-4-fluorophenyl)methoxy]-5-methoxybenzaldehyde.
What is the SMILES notation for 3-bromo-4-[(2-chloro-4-fluorophenyl)methoxy]-5-methoxybenzaldehyde?
The canonical SMILES for 3-bromo-4-[(2-chloro-4-fluorophenyl)methoxy]-5-methoxybenzaldehyde is COc1cc(C=O)cc(Br)c1OCc1ccc(F)cc1Cl.
What is the InChIKey of 3-bromo-4-[(2-chloro-4-fluorophenyl)methoxy]-5-methoxybenzaldehyde?
The InChIKey is CNXNGGRQICLNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClFO3/c1-20-14-5-9(7-19)4-12(16)15(14)21-8-10-2-3-11(18)6-13(10)17/h2-7H,8H2,1H3.
What are the key properties of 3-bromo-4-[(2-chloro-4-fluorophenyl)methoxy]-5-methoxybenzaldehyde?
3-bromo-4-[(2-chloro-4-fluorophenyl)methoxy]-5-methoxybenzaldehyde has a molecular weight of 373.61 g/mol, XLogP of 4.64, 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-chloro-4-fluorophenyl)methoxy]-5-methoxybenzaldehyde is sourced from PubChem (CID 43622437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).