2-bromo-5-[(2-chlorophenoxy)methyl]phenol

C13H10BrClO2 — CID 117220261

IUPAC2-bromo-5-[(2-chlorophenoxy)methyl]phenol
SMILESOc1cc(COc2ccccc2Cl)ccc1Br
InChIInChI=1S/C13H10BrClO2/c14-10-6-5-9(7-12(10)16)8-17-13-4-2-1-3-11(13)15/h1-7,16H,8H2
InChIKeyGEPZZBMVCMFOQW-UHFFFAOYSA-N
MW313.58 g/mol
LogP4.39
Rot. Bonds3

About 2-bromo-5-[(2-chlorophenoxy)methyl]phenol

2-bromo-5-[(2-chlorophenoxy)methyl]phenol (PubChem CID 117220261) has the molecular formula C13H10BrClO2 and a molecular weight of 313.58 g/mol. Its IUPAC name is 2-bromo-5-[(2-chlorophenoxy)methyl]phenol.

Molecular Properties

Compound Name2-bromo-5-[(2-chlorophenoxy)methyl]phenol
PubChem CID117220261
Molecular FormulaC13H10BrClO2
Molecular Weight313.58 g/mol
Exact Mass311.96
IUPAC Name2-bromo-5-[(2-chlorophenoxy)methyl]phenol
SMILESOc1cc(COc2ccccc2Cl)ccc1Br
InChIInChI=1S/C13H10BrClO2/c14-10-6-5-9(7-12(10)16)8-17-13-4-2-1-3-11(13)15/h1-7,16H,8H2
InChIKeyGEPZZBMVCMFOQW-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-amino-4-[(2-chlorophenoxy)methyl]phenol
CID 117221784
4-[(2-chlorophenoxy)methyl]-1,2-dimethoxybenzene
CID 64763618
5-chloro-2-[(2-chlorophenoxy)methyl]phenol
CID 117221050
2-[(3-chlorophenyl)methoxy]phenol
CID 18947333
[4-[(2-chlorophenoxy)methyl]phenyl]-phenylmethanone
CID 1265675
N-[[4-[(2-chlorophenoxy)methyl]phenyl]methyl]ethanamine
CID 62454422
[2-[(3-bromo-4-fluorophenyl)methoxy]-6-chlorophenyl]methanol
CID 114320554
6-[(2-chlorophenoxy)methyl]-2,3-dihydro-1H-indole
CID 115103937
6-[(2-chlorophenoxy)methyl]-1,2,3,4-tetrahydroquinoline
CID 115104384
magnesium;1-chloro-2-(phenylmethoxy)benzene;bromide
CID 91655253
2-[(2-bromophenoxy)methyl]-1,3-dichlorobenzene
CID 28825797
4-[(2-chlorophenoxy)methyl]thiophene-2-carbaldehyde
CID 19621674

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[(2-chlorophenoxy)methyl]phenol?
The IUPAC name of 2-bromo-5-[(2-chlorophenoxy)methyl]phenol (CID 117220261) is 2-bromo-5-[(2-chlorophenoxy)methyl]phenol.
What is the SMILES notation for 2-bromo-5-[(2-chlorophenoxy)methyl]phenol?
The canonical SMILES for 2-bromo-5-[(2-chlorophenoxy)methyl]phenol is Oc1cc(COc2ccccc2Cl)ccc1Br.
What is the InChIKey of 2-bromo-5-[(2-chlorophenoxy)methyl]phenol?
The InChIKey is GEPZZBMVCMFOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClO2/c14-10-6-5-9(7-12(10)16)8-17-13-4-2-1-3-11(13)15/h1-7,16H,8H2.
What are the key properties of 2-bromo-5-[(2-chlorophenoxy)methyl]phenol?
2-bromo-5-[(2-chlorophenoxy)methyl]phenol 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-5-[(2-chlorophenoxy)methyl]phenol is sourced from PubChem (CID 117220261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).