1-bromo-3-chloro-5-(phenoxymethyl)benzene

C13H10BrClO — CID 141438053

IUPAC1-bromo-3-chloro-5-(phenoxymethyl)benzene
SMILESClc1cc(Br)cc(COc2ccccc2)c1
InChIInChI=1S/C13H10BrClO/c14-11-6-10(7-12(15)8-11)9-16-13-4-2-1-3-5-13/h1-8H,9H2
InChIKeyQXUFEDIPMBKDKQ-UHFFFAOYSA-N
MW297.58 g/mol
LogP4.68
Rot. Bonds3

About 1-bromo-3-chloro-5-(phenoxymethyl)benzene

1-bromo-3-chloro-5-(phenoxymethyl)benzene (PubChem CID 141438053) has the molecular formula C13H10BrClO and a molecular weight of 297.58 g/mol. Its IUPAC name is 1-bromo-3-chloro-5-(phenoxymethyl)benzene.

Molecular Properties

Compound Name1-bromo-3-chloro-5-(phenoxymethyl)benzene
PubChem CID141438053
Molecular FormulaC13H10BrClO
Molecular Weight297.58 g/mol
Exact Mass295.96
IUPAC Name1-bromo-3-chloro-5-(phenoxymethyl)benzene
SMILESClc1cc(Br)cc(COc2ccccc2)c1
InChIInChI=1S/C13H10BrClO/c14-11-6-10(7-12(15)8-11)9-16-13-4-2-1-3-5-13/h1-8H,9H2
InChIKeyQXUFEDIPMBKDKQ-UHFFFAOYSA-N
XLogP4.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.58
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-bis[[3,5-bis[(3,5-dichlorophenoxy)methyl]phenoxy]methyl]-5-phenylmethoxybenzene
CID 132525104
4-[(3,5-dichlorophenyl)methoxy]phenol
CID 54406351
1-bromo-3-[(3-chlorophenoxy)methyl]-5-fluorobenzene
CID 79701274
1-bromo-3-[(4-chlorophenoxy)methyl]benzene
CID 60643956
1,3-dimethyl-5-(phenoxymethyl)benzene
CID 20649368
1-chloro-4-[(4-phenoxyphenoxy)methyl]benzene
CID 54171722
N-(3,5-dichlorophenyl)-1-(3-phenylmethoxyphenyl)methanimine
CID 2197856
1-bromo-3-fluoro-5-(2-phenoxyethoxymethyl)benzene
CID 79701276
1-[[5-bromo-2-(bromomethyl)phenoxy]methyl]-3,5-dichlorobenzene
CID 89437050
1-bromo-3-(4-phenylmethoxyphenoxy)benzene
CID 44818238
1-bromo-3-fluoro-5-[(4-fluorophenoxy)methyl]benzene
CID 79702949
N-(3,5-dichlorophenyl)-2-(4-phenylmethoxyphenoxy)acetamide
CID 7926056

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-chloro-5-(phenoxymethyl)benzene?
The IUPAC name of 1-bromo-3-chloro-5-(phenoxymethyl)benzene (CID 141438053) is 1-bromo-3-chloro-5-(phenoxymethyl)benzene.
What is the SMILES notation for 1-bromo-3-chloro-5-(phenoxymethyl)benzene?
The canonical SMILES for 1-bromo-3-chloro-5-(phenoxymethyl)benzene is Clc1cc(Br)cc(COc2ccccc2)c1.
What is the InChIKey of 1-bromo-3-chloro-5-(phenoxymethyl)benzene?
The InChIKey is QXUFEDIPMBKDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClO/c14-11-6-10(7-12(15)8-11)9-16-13-4-2-1-3-5-13/h1-8H,9H2.
What are the key properties of 1-bromo-3-chloro-5-(phenoxymethyl)benzene?
1-bromo-3-chloro-5-(phenoxymethyl)benzene has a molecular weight of 297.58 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-chloro-5-(phenoxymethyl)benzene is sourced from PubChem (CID 141438053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).