[2-bromo-4-(4-chlorophenoxy)phenyl]methanol

C13H10BrClO2 — CID 66738685

IUPAC[2-bromo-4-(4-chlorophenoxy)phenyl]methanol
SMILESOCc1ccc(Oc2ccc(Cl)cc2)cc1Br
InChIInChI=1S/C13H10BrClO2/c14-13-7-12(4-1-9(13)8-16)17-11-5-2-10(15)3-6-11/h1-7,16H,8H2
InChIKeyFLHRCBAVHVWRDZ-UHFFFAOYSA-N
MW313.58 g/mol
LogP4.39
Rot. Bonds3

About [2-bromo-4-(4-chlorophenoxy)phenyl]methanol

[2-bromo-4-(4-chlorophenoxy)phenyl]methanol (PubChem CID 66738685) has the molecular formula C13H10BrClO2 and a molecular weight of 313.58 g/mol. Its IUPAC name is [2-bromo-4-(4-chlorophenoxy)phenyl]methanol.

Molecular Properties

Compound Name[2-bromo-4-(4-chlorophenoxy)phenyl]methanol
PubChem CID66738685
Molecular FormulaC13H10BrClO2
Molecular Weight313.58 g/mol
Exact Mass311.96
IUPAC Name[2-bromo-4-(4-chlorophenoxy)phenyl]methanol
SMILESOCc1ccc(Oc2ccc(Cl)cc2)cc1Br
InChIInChI=1S/C13H10BrClO2/c14-13-7-12(4-1-9(13)8-16)17-11-5-2-10(15)3-6-11/h1-7,16H,8H2
InChIKeyFLHRCBAVHVWRDZ-UHFFFAOYSA-N
XLogP4.39
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.58
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-bromo-4-(2-chlorophenoxy)phenyl]methanol
CID 114060389
[2-bromo-4-(2,3-dichlorophenoxy)phenyl]methanol
CID 114060386
[4-chloro-2-(4-chlorophenoxy)phenyl]methanol
CID 86078233
2-bromo-1-(bromomethyl)-4-(3-chloro-4-fluorophenoxy)benzene
CID 114060640
[4-bromo-2-(3-bromo-4-fluorophenoxy)phenyl]methanol
CID 83234633
1,4-bis(4-chlorophenoxy)benzene
CID 10996522
[2-bromo-4-(5-fluoro-2-methylphenoxy)phenyl]methanol
CID 114060424
[2-(3-bromo-4-fluorophenoxy)phenyl]methanol
CID 83235131
[4-(4-chlorophenoxy)-5-fluoro-2-iodophenyl]methanol
CID 177062619
1-bromo-4-(4-chlorophenoxy)-2-(ethoxymethoxymethyl)benzene;[2-bromo-5-(4-chlorophenoxy)phenyl]methanol;chloromethoxyethane;methane;molecular hydrogen
CID 161146917
[2-(3-bromo-4-fluorophenoxy)-3-fluorophenyl]methanol
CID 114067647
[4-(2-bromo-4-methylphenoxy)-2-chlorophenyl]methanol
CID 114064332

Frequently Asked Questions

What is the IUPAC name of [2-bromo-4-(4-chlorophenoxy)phenyl]methanol?
The IUPAC name of [2-bromo-4-(4-chlorophenoxy)phenyl]methanol (CID 66738685) is [2-bromo-4-(4-chlorophenoxy)phenyl]methanol.
What is the SMILES notation for [2-bromo-4-(4-chlorophenoxy)phenyl]methanol?
The canonical SMILES for [2-bromo-4-(4-chlorophenoxy)phenyl]methanol is OCc1ccc(Oc2ccc(Cl)cc2)cc1Br.
What is the InChIKey of [2-bromo-4-(4-chlorophenoxy)phenyl]methanol?
The InChIKey is FLHRCBAVHVWRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClO2/c14-13-7-12(4-1-9(13)8-16)17-11-5-2-10(15)3-6-11/h1-7,16H,8H2.
What are the key properties of [2-bromo-4-(4-chlorophenoxy)phenyl]methanol?
[2-bromo-4-(4-chlorophenoxy)phenyl]methanol has a molecular weight of 313.58 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-bromo-4-(4-chlorophenoxy)phenyl]methanol is sourced from PubChem (CID 66738685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).