2-[[4-(bromomethyl)-2-fluorophenoxy]methyl]-4-chloro-1-methoxybenzene

C15H13BrClFO2 — CID 107691893

IUPAC2-[[4-(bromomethyl)-2-fluorophenoxy]methyl]-4-chloro-1-methoxybenzene
SMILESCOc1ccc(Cl)cc1COc1ccc(CBr)cc1F
InChIInChI=1S/C15H13BrClFO2/c1-19-14-5-3-12(17)7-11(14)9-20-15-4-2-10(8-16)6-13(15)18/h2-7H,8-9H2,1H3
InChIKeyTZMTYVUKHQUANO-UHFFFAOYSA-N
MW359.62 g/mol
LogP4.96
Rot. Bonds5

About 2-[[4-(bromomethyl)-2-fluorophenoxy]methyl]-4-chloro-1-methoxybenzene

2-[[4-(bromomethyl)-2-fluorophenoxy]methyl]-4-chloro-1-methoxybenzene (PubChem CID 107691893) has the molecular formula C15H13BrClFO2 and a molecular weight of 359.62 g/mol. Its IUPAC name is 2-[[4-(bromomethyl)-2-fluorophenoxy]methyl]-4-chloro-1-methoxybenzene.

Molecular Properties

Compound Name2-[[4-(bromomethyl)-2-fluorophenoxy]methyl]-4-chloro-1-methoxybenzene
PubChem CID107691893
Molecular FormulaC15H13BrClFO2
Molecular Weight359.62 g/mol
Exact Mass357.98
IUPAC Name2-[[4-(bromomethyl)-2-fluorophenoxy]methyl]-4-chloro-1-methoxybenzene
SMILESCOc1ccc(Cl)cc1COc1ccc(CBr)cc1F
InChIInChI=1S/C15H13BrClFO2/c1-19-14-5-3-12(17)7-11(14)9-20-15-4-2-10(8-16)6-13(15)18/h2-7H,8-9H2,1H3
InChIKeyTZMTYVUKHQUANO-UHFFFAOYSA-N
XLogP4.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.62
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[[5-(bromomethyl)-2-methoxyphenoxy]methyl]-4-chloro-1-fluorobenzene
CID 103047043
4-(bromomethyl)-2-fluoro-1-[(4-methoxyphenyl)methoxy]benzene
CID 107691631
1-[[4-(bromomethyl)-2-fluorophenoxy]methyl]-2-chloro-4-fluorobenzene
CID 107691509
1-bromo-5-(bromomethyl)-2-[(5-chloro-2-fluorophenyl)methoxy]-3-methoxybenzene
CID 103047056
2-[[4-(bromomethyl)-2-methoxyphenoxy]methyl]-1-chloro-4-fluorobenzene
CID 102616583
2-[4-[(5-chloro-2-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine
CID 107692530
1,4-dichloro-2-[[4-(chloromethyl)-2-fluorophenoxy]methyl]benzene
CID 107691124
4-(bromomethyl)-2-fluoro-1-[(4-fluorophenyl)methoxy]benzene
CID 107691588
[4-[(5-chloro-2-fluorophenyl)methoxy]-3-methoxyphenyl]methanol
CID 102974846
2-[[4-(bromomethyl)-2-fluorophenoxy]methyl]-3,4-dimethoxypyridine
CID 107691675
1-[4-(bromomethyl)-2-fluorophenoxy]-4-chloro-2-methylbenzene
CID 107087281
1-[5-chloro-2-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
CID 43646631

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(bromomethyl)-2-fluorophenoxy]methyl]-4-chloro-1-methoxybenzene?
The IUPAC name of 2-[[4-(bromomethyl)-2-fluorophenoxy]methyl]-4-chloro-1-methoxybenzene (CID 107691893) is 2-[[4-(bromomethyl)-2-fluorophenoxy]methyl]-4-chloro-1-methoxybenzene.
What is the SMILES notation for 2-[[4-(bromomethyl)-2-fluorophenoxy]methyl]-4-chloro-1-methoxybenzene?
The canonical SMILES for 2-[[4-(bromomethyl)-2-fluorophenoxy]methyl]-4-chloro-1-methoxybenzene is COc1ccc(Cl)cc1COc1ccc(CBr)cc1F.
What is the InChIKey of 2-[[4-(bromomethyl)-2-fluorophenoxy]methyl]-4-chloro-1-methoxybenzene?
The InChIKey is TZMTYVUKHQUANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClFO2/c1-19-14-5-3-12(17)7-11(14)9-20-15-4-2-10(8-16)6-13(15)18/h2-7H,8-9H2,1H3.
What are the key properties of 2-[[4-(bromomethyl)-2-fluorophenoxy]methyl]-4-chloro-1-methoxybenzene?
2-[[4-(bromomethyl)-2-fluorophenoxy]methyl]-4-chloro-1-methoxybenzene has a molecular weight of 359.62 g/mol, XLogP of 4.96, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(bromomethyl)-2-fluorophenoxy]methyl]-4-chloro-1-methoxybenzene is sourced from PubChem (CID 107691893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).