[2-(4-bromo-2,5-dichlorophenoxy)-5-chlorophenyl]methanol

C13H8BrCl3O2 — CID 107659046

IUPAC[2-(4-bromo-2,5-dichlorophenoxy)-5-chlorophenyl]methanol
SMILESOCc1cc(Cl)ccc1Oc1cc(Cl)c(Br)cc1Cl
InChIInChI=1S/C13H8BrCl3O2/c14-9-4-11(17)13(5-10(9)16)19-12-2-1-8(15)3-7(12)6-18/h1-5,18H,6H2
InChIKeyMQIOHGYGGYZJJL-UHFFFAOYSA-N
MW382.47 g/mol
LogP5.69
Rot. Bonds3

About [2-(4-bromo-2,5-dichlorophenoxy)-5-chlorophenyl]methanol

[2-(4-bromo-2,5-dichlorophenoxy)-5-chlorophenyl]methanol (PubChem CID 107659046) has the molecular formula C13H8BrCl3O2 and a molecular weight of 382.47 g/mol. Its IUPAC name is [2-(4-bromo-2,5-dichlorophenoxy)-5-chlorophenyl]methanol.

Molecular Properties

Compound Name[2-(4-bromo-2,5-dichlorophenoxy)-5-chlorophenyl]methanol
PubChem CID107659046
Molecular FormulaC13H8BrCl3O2
Molecular Weight382.47 g/mol
Exact Mass379.88
IUPAC Name[2-(4-bromo-2,5-dichlorophenoxy)-5-chlorophenyl]methanol
SMILESOCc1cc(Cl)ccc1Oc1cc(Cl)c(Br)cc1Cl
InChIInChI=1S/C13H8BrCl3O2/c14-9-4-11(17)13(5-10(9)16)19-12-2-1-8(15)3-7(12)6-18/h1-5,18H,6H2
InChIKeyMQIOHGYGGYZJJL-UHFFFAOYSA-N
XLogP5.69
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.47
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

[2-(2-bromo-4-fluorophenoxy)-5-chlorophenyl]methanol
CID 114845999
[4-(4-bromo-2,5-dichlorophenoxy)-3-methylphenyl]methanol
CID 107659090
[2-(4-bromo-2-propan-2-ylphenoxy)-5-chlorophenyl]methanol
CID 114846232
1-bromo-2,5-dichloro-4-[2-(chloromethyl)-4-methylphenoxy]benzene
CID 114054842
[5-chloro-2-(2-methoxyphenoxy)phenyl]methanol
CID 114846046
[2-(4-bromo-5-fluoro-2-nitrophenoxy)-5-chlorophenyl]methanol
CID 103483384
[4-(4-bromo-2,5-dichlorophenoxy)-3,5-difluorophenyl]methanol
CID 107659098
[3-bromo-4-(2-bromo-4-chlorophenoxy)phenyl]methanol
CID 114062434
2-[5-chloro-2-(2,4-dichlorophenoxy)phenyl]acetic acid
CID 13409359
[2-(2-bromo-4-chloro-5-fluorophenoxy)phenyl]methanol
CID 114042695
[2-(4-bromo-2,5-dichlorophenoxy)-4-methylpyrimidin-5-yl]methanol
CID 107660009
[6-(4-bromo-2,5-dichlorophenoxy)-3-pyridinyl]methanol
CID 107659076

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromo-2,5-dichlorophenoxy)-5-chlorophenyl]methanol?
The IUPAC name of [2-(4-bromo-2,5-dichlorophenoxy)-5-chlorophenyl]methanol (CID 107659046) is [2-(4-bromo-2,5-dichlorophenoxy)-5-chlorophenyl]methanol.
What is the SMILES notation for [2-(4-bromo-2,5-dichlorophenoxy)-5-chlorophenyl]methanol?
The canonical SMILES for [2-(4-bromo-2,5-dichlorophenoxy)-5-chlorophenyl]methanol is OCc1cc(Cl)ccc1Oc1cc(Cl)c(Br)cc1Cl.
What is the InChIKey of [2-(4-bromo-2,5-dichlorophenoxy)-5-chlorophenyl]methanol?
The InChIKey is MQIOHGYGGYZJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrCl3O2/c14-9-4-11(17)13(5-10(9)16)19-12-2-1-8(15)3-7(12)6-18/h1-5,18H,6H2.
What are the key properties of [2-(4-bromo-2,5-dichlorophenoxy)-5-chlorophenyl]methanol?
[2-(4-bromo-2,5-dichlorophenoxy)-5-chlorophenyl]methanol has a molecular weight of 382.47 g/mol, XLogP of 5.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromo-2,5-dichlorophenoxy)-5-chlorophenyl]methanol is sourced from PubChem (CID 107659046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).