1-bromo-2-[(2-chloro-3-fluorophenyl)methoxy]-3-(chloromethyl)benzene

C14H10BrCl2FO — CID 112652534

IUPAC1-bromo-2-[(2-chloro-3-fluorophenyl)methoxy]-3-(chloromethyl)benzene
SMILESFc1cccc(COc2c(Br)cccc2CCl)c1Cl
InChIInChI=1S/C14H10BrCl2FO/c15-11-5-1-3-9(7-16)14(11)19-8-10-4-2-6-12(18)13(10)17/h1-6H,7-8H2
InChIKeyHWUVKBXKIUARGP-UHFFFAOYSA-N
MW364.04 g/mol
LogP5.56
Rot. Bonds4

About 1-bromo-2-[(2-chloro-3-fluorophenyl)methoxy]-3-(chloromethyl)benzene

1-bromo-2-[(2-chloro-3-fluorophenyl)methoxy]-3-(chloromethyl)benzene (PubChem CID 112652534) has the molecular formula C14H10BrCl2FO and a molecular weight of 364.04 g/mol. Its IUPAC name is 1-bromo-2-[(2-chloro-3-fluorophenyl)methoxy]-3-(chloromethyl)benzene.

Molecular Properties

Compound Name1-bromo-2-[(2-chloro-3-fluorophenyl)methoxy]-3-(chloromethyl)benzene
PubChem CID112652534
Molecular FormulaC14H10BrCl2FO
Molecular Weight364.04 g/mol
Exact Mass361.93
IUPAC Name1-bromo-2-[(2-chloro-3-fluorophenyl)methoxy]-3-(chloromethyl)benzene
SMILESFc1cccc(COc2c(Br)cccc2CCl)c1Cl
InChIInChI=1S/C14H10BrCl2FO/c15-11-5-1-3-9(7-16)14(11)19-8-10-4-2-6-12(18)13(10)17/h1-6H,7-8H2
InChIKeyHWUVKBXKIUARGP-UHFFFAOYSA-N
XLogP5.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.04
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,3-dibromo-2-[(2-chloro-3-fluorophenyl)methoxy]-5-(chloromethyl)benzene
CID 107745489
1-bromo-3-[[2-bromo-6-(chloromethyl)phenoxy]methyl]-2,4-difluorobenzene
CID 106264501
2-bromo-1-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-3-fluorobenzene
CID 112613624
1-[[2-bromo-4-(chloromethyl)phenoxy]methyl]-2-chloro-3-fluorobenzene
CID 112652538
1-bromo-3-(chloromethyl)-2-[(2-fluoro-4-methoxyphenyl)methoxy]benzene
CID 102877189
1-[(2-chloro-3-fluorophenyl)methoxy]-2-(chloromethyl)-4-fluorobenzene
CID 107698873
2-[2-[(2-chloro-3-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine
CID 115984055
1-bromo-3-(chloromethyl)-2-(2-fluoroethoxy)benzene
CID 80694612
2-bromo-1-[[2-(chloromethyl)-6-methylphenoxy]methyl]-3-fluorobenzene
CID 112613290
2-chloro-1-[[3-(chloromethyl)phenoxy]methyl]-3-fluorobenzene
CID 112652526
1-bromo-4-[(2-chloro-3-fluorophenyl)methoxy]-2-methylbenzene
CID 112652330
2-[(2-chloro-3-fluorophenyl)methoxy]-3-methylaniline
CID 112651692

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-[(2-chloro-3-fluorophenyl)methoxy]-3-(chloromethyl)benzene?
The IUPAC name of 1-bromo-2-[(2-chloro-3-fluorophenyl)methoxy]-3-(chloromethyl)benzene (CID 112652534) is 1-bromo-2-[(2-chloro-3-fluorophenyl)methoxy]-3-(chloromethyl)benzene.
What is the SMILES notation for 1-bromo-2-[(2-chloro-3-fluorophenyl)methoxy]-3-(chloromethyl)benzene?
The canonical SMILES for 1-bromo-2-[(2-chloro-3-fluorophenyl)methoxy]-3-(chloromethyl)benzene is Fc1cccc(COc2c(Br)cccc2CCl)c1Cl.
What is the InChIKey of 1-bromo-2-[(2-chloro-3-fluorophenyl)methoxy]-3-(chloromethyl)benzene?
The InChIKey is HWUVKBXKIUARGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrCl2FO/c15-11-5-1-3-9(7-16)14(11)19-8-10-4-2-6-12(18)13(10)17/h1-6H,7-8H2.
What are the key properties of 1-bromo-2-[(2-chloro-3-fluorophenyl)methoxy]-3-(chloromethyl)benzene?
1-bromo-2-[(2-chloro-3-fluorophenyl)methoxy]-3-(chloromethyl)benzene has a molecular weight of 364.04 g/mol, XLogP of 5.56, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-[(2-chloro-3-fluorophenyl)methoxy]-3-(chloromethyl)benzene is sourced from PubChem (CID 112652534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).