[4-(4-bromo-2,5-dichlorophenoxy)-3-methylphenyl]methanol

C14H11BrCl2O2 — CID 107659090

IUPAC[4-(4-bromo-2,5-dichlorophenoxy)-3-methylphenyl]methanol
SMILESCc1cc(CO)ccc1Oc1cc(Cl)c(Br)cc1Cl
InChIInChI=1S/C14H11BrCl2O2/c1-8-4-9(7-18)2-3-13(8)19-14-6-11(16)10(15)5-12(14)17/h2-6,18H,7H2,1H3
InChIKeyYLUSXVLWZOHLRD-UHFFFAOYSA-N
MW362.05 g/mol
LogP5.35
Rot. Bonds3

About [4-(4-bromo-2,5-dichlorophenoxy)-3-methylphenyl]methanol

[4-(4-bromo-2,5-dichlorophenoxy)-3-methylphenyl]methanol (PubChem CID 107659090) has the molecular formula C14H11BrCl2O2 and a molecular weight of 362.05 g/mol. Its IUPAC name is [4-(4-bromo-2,5-dichlorophenoxy)-3-methylphenyl]methanol.

Molecular Properties

Compound Name[4-(4-bromo-2,5-dichlorophenoxy)-3-methylphenyl]methanol
PubChem CID107659090
Molecular FormulaC14H11BrCl2O2
Molecular Weight362.05 g/mol
Exact Mass359.93
IUPAC Name[4-(4-bromo-2,5-dichlorophenoxy)-3-methylphenyl]methanol
SMILESCc1cc(CO)ccc1Oc1cc(Cl)c(Br)cc1Cl
InChIInChI=1S/C14H11BrCl2O2/c1-8-4-9(7-18)2-3-13(8)19-14-6-11(16)10(15)5-12(14)17/h2-6,18H,7H2,1H3
InChIKeyYLUSXVLWZOHLRD-UHFFFAOYSA-N
XLogP5.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.05
LogP ≤ 55.35
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

[4-(4-bromo-2-chlorophenoxy)-3-methylphenyl]methanol
CID 63540802
1-[4-(4-bromo-2,5-dichlorophenoxy)-3-methylphenyl]propan-2-amine
CID 107661694
[4-(2-chloro-4-methylphenoxy)-3-methylphenyl]methanol
CID 62673606
[2-(4-bromo-2,5-dichlorophenoxy)-5-chlorophenyl]methanol
CID 107659046
[6-(4-bromo-2,5-dichlorophenoxy)-3-pyridinyl]methanol
CID 107659076
1-[3-(4-bromo-2,5-dichlorophenoxy)-4-methylphenyl]-N-methylmethanamine
CID 107659517
[4-(2-bromophenoxy)-3-chlorophenyl]methanol
CID 81152045
[4-(4-bromo-2,5-dichlorophenoxy)-3,5-difluorophenyl]methanol
CID 107659098
[3-bromo-4-(2-bromo-4-chlorophenoxy)phenyl]methanol
CID 114062434
(1S)-1-[3-bromo-4-(4-bromo-2,5-dichlorophenoxy)phenyl]ethanol
CID 107659040
1-bromo-2,5-dichloro-4-[2-(chloromethyl)-4-methylphenoxy]benzene
CID 114054842
N-[[4-(4-bromo-2,5-dichlorophenoxy)-3-fluorophenyl]methyl]ethanamine
CID 107659542

Frequently Asked Questions

What is the IUPAC name of [4-(4-bromo-2,5-dichlorophenoxy)-3-methylphenyl]methanol?
The IUPAC name of [4-(4-bromo-2,5-dichlorophenoxy)-3-methylphenyl]methanol (CID 107659090) is [4-(4-bromo-2,5-dichlorophenoxy)-3-methylphenyl]methanol.
What is the SMILES notation for [4-(4-bromo-2,5-dichlorophenoxy)-3-methylphenyl]methanol?
The canonical SMILES for [4-(4-bromo-2,5-dichlorophenoxy)-3-methylphenyl]methanol is Cc1cc(CO)ccc1Oc1cc(Cl)c(Br)cc1Cl.
What is the InChIKey of [4-(4-bromo-2,5-dichlorophenoxy)-3-methylphenyl]methanol?
The InChIKey is YLUSXVLWZOHLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrCl2O2/c1-8-4-9(7-18)2-3-13(8)19-14-6-11(16)10(15)5-12(14)17/h2-6,18H,7H2,1H3.
What are the key properties of [4-(4-bromo-2,5-dichlorophenoxy)-3-methylphenyl]methanol?
[4-(4-bromo-2,5-dichlorophenoxy)-3-methylphenyl]methanol has a molecular weight of 362.05 g/mol, XLogP of 5.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-bromo-2,5-dichlorophenoxy)-3-methylphenyl]methanol is sourced from PubChem (CID 107659090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).