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

C13H10BrClO2 — CID 114060389

IUPAC[2-bromo-4-(2-chlorophenoxy)phenyl]methanol
SMILESOCc1ccc(Oc2ccccc2Cl)cc1Br
InChIInChI=1S/C13H10BrClO2/c14-11-7-10(6-5-9(11)8-16)17-13-4-2-1-3-12(13)15/h1-7,16H,8H2
InChIKeyPCXDPCIJWHDMBZ-UHFFFAOYSA-N
MW313.58 g/mol
LogP4.39
Rot. Bonds3

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

[2-bromo-4-(2-chlorophenoxy)phenyl]methanol (PubChem CID 114060389) has the molecular formula C13H10BrClO2 and a molecular weight of 313.58 g/mol. Its IUPAC name is [2-bromo-4-(2-chlorophenoxy)phenyl]methanol.

Molecular Properties

Compound Name[2-bromo-4-(2-chlorophenoxy)phenyl]methanol
PubChem CID114060389
Molecular FormulaC13H10BrClO2
Molecular Weight313.58 g/mol
Exact Mass311.96
IUPAC Name[2-bromo-4-(2-chlorophenoxy)phenyl]methanol
SMILESOCc1ccc(Oc2ccccc2Cl)cc1Br
InChIInChI=1S/C13H10BrClO2/c14-11-7-10(6-5-9(11)8-16)17-13-4-2-1-3-12(13)15/h1-7,16H,8H2
InChIKeyPCXDPCIJWHDMBZ-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-(2,3-dichlorophenoxy)phenyl]methanol
CID 114060386
[2-bromo-4-(4-chlorophenoxy)phenyl]methanol
CID 66738685
2-bromo-4-(2-chlorophenoxy)benzonitrile
CID 107276919
[2-(3-bromo-4-fluorophenoxy)phenyl]methanol
CID 83235131
[2-bromo-4-(5-fluoro-2-methylphenoxy)phenyl]methanol
CID 114060424
1-bromo-4-(2-chlorophenoxy)benzene
CID 21454528
[4-(2-bromo-4-methylphenoxy)-2-chlorophenyl]methanol
CID 114064332
[4-(2-methoxyphenoxy)-2-methylphenyl]methanol
CID 62136414
2-bromo-1-(chloromethyl)-4-(2-chloro-5-methylphenoxy)benzene
CID 114060625
[4-[2-(hydroxymethyl)phenoxy]-2-methylphenyl]methanol
CID 63653809
2-chloro-4-[2-(hydroxymethyl)phenoxy]benzaldehyde
CID 114064189
2-bromo-1-(bromomethyl)-4-(2-ethylphenoxy)benzene
CID 114060623

Frequently Asked Questions

What is the IUPAC name of [2-bromo-4-(2-chlorophenoxy)phenyl]methanol?
The IUPAC name of [2-bromo-4-(2-chlorophenoxy)phenyl]methanol (CID 114060389) is [2-bromo-4-(2-chlorophenoxy)phenyl]methanol.
What is the SMILES notation for [2-bromo-4-(2-chlorophenoxy)phenyl]methanol?
The canonical SMILES for [2-bromo-4-(2-chlorophenoxy)phenyl]methanol is OCc1ccc(Oc2ccccc2Cl)cc1Br.
What is the InChIKey of [2-bromo-4-(2-chlorophenoxy)phenyl]methanol?
The InChIKey is PCXDPCIJWHDMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClO2/c14-11-7-10(6-5-9(11)8-16)17-13-4-2-1-3-12(13)15/h1-7,16H,8H2.
What are the key properties of [2-bromo-4-(2-chlorophenoxy)phenyl]methanol?
[2-bromo-4-(2-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-(2-chlorophenoxy)phenyl]methanol is sourced from PubChem (CID 114060389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).