[4-(2-bromophenoxy)-3-chlorophenyl]methanol

C13H10BrClO2 — CID 81152045

IUPAC[4-(2-bromophenoxy)-3-chlorophenyl]methanol
SMILESOCc1ccc(Oc2ccccc2Br)c(Cl)c1
InChIInChI=1S/C13H10BrClO2/c14-10-3-1-2-4-12(10)17-13-6-5-9(8-16)7-11(13)15/h1-7,16H,8H2
InChIKeyRWZKWKHFGHROPJ-UHFFFAOYSA-N
MW313.58 g/mol
LogP4.39
Rot. Bonds3

About [4-(2-bromophenoxy)-3-chlorophenyl]methanol

[4-(2-bromophenoxy)-3-chlorophenyl]methanol (PubChem CID 81152045) has the molecular formula C13H10BrClO2 and a molecular weight of 313.58 g/mol. Its IUPAC name is [4-(2-bromophenoxy)-3-chlorophenyl]methanol.

Molecular Properties

Compound Name[4-(2-bromophenoxy)-3-chlorophenyl]methanol
PubChem CID81152045
Molecular FormulaC13H10BrClO2
Molecular Weight313.58 g/mol
Exact Mass311.96
IUPAC Name[4-(2-bromophenoxy)-3-chlorophenyl]methanol
SMILESOCc1ccc(Oc2ccccc2Br)c(Cl)c1
InChIInChI=1S/C13H10BrClO2/c14-10-3-1-2-4-12(10)17-13-6-5-9(8-16)7-11(13)15/h1-7,16H,8H2
InChIKeyRWZKWKHFGHROPJ-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

N-[[4-(2-bromophenoxy)-3-chlorophenyl]methyl]-2-methylpropan-2-amine
CID 81145811
[3-bromo-4-(2-bromo-4-chlorophenoxy)phenyl]methanol
CID 114062434
[3-chloro-4-(2-propoxyphenoxy)phenyl]methanol
CID 81151158
1-[4-(2-bromophenoxy)-3-chlorophenyl]butan-2-amine
CID 81165959
N-[[4-(2-bromophenoxy)-3-chlorophenyl]methyl]-2-methylpropan-1-amine
CID 81145933
[4-(4-bromo-3-fluorophenoxy)-3-chlorophenyl]methanol
CID 81151526
[4-(4-bromo-2-chlorophenoxy)-3-methylphenyl]methanol
CID 63540802
[4-(4-bromo-2,5-dichlorophenoxy)-3-methylphenyl]methanol
CID 107659090
2-bromo-4-chloro-1-(2-chlorophenoxy)benzene
CID 169336335
2-[4-(2-bromo-4-fluorophenoxy)-3-chlorophenyl]ethanamine
CID 81166401
1-bromo-2-(2-bromophenoxy)benzene
CID 3465096
[4-(2-chloro-4-methylphenoxy)-3-methylphenyl]methanol
CID 62673606

Frequently Asked Questions

What is the IUPAC name of [4-(2-bromophenoxy)-3-chlorophenyl]methanol?
The IUPAC name of [4-(2-bromophenoxy)-3-chlorophenyl]methanol (CID 81152045) is [4-(2-bromophenoxy)-3-chlorophenyl]methanol.
What is the SMILES notation for [4-(2-bromophenoxy)-3-chlorophenyl]methanol?
The canonical SMILES for [4-(2-bromophenoxy)-3-chlorophenyl]methanol is OCc1ccc(Oc2ccccc2Br)c(Cl)c1.
What is the InChIKey of [4-(2-bromophenoxy)-3-chlorophenyl]methanol?
The InChIKey is RWZKWKHFGHROPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClO2/c14-10-3-1-2-4-12(10)17-13-6-5-9(8-16)7-11(13)15/h1-7,16H,8H2.
What are the key properties of [4-(2-bromophenoxy)-3-chlorophenyl]methanol?
[4-(2-bromophenoxy)-3-chlorophenyl]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 [4-(2-bromophenoxy)-3-chlorophenyl]methanol is sourced from PubChem (CID 81152045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).