[5-bromo-2-[(2,6-dichlorophenyl)methoxy]-3-methylphenyl]methanol

C15H13BrCl2O2 — CID 115962142

IUPAC[5-bromo-2-[(2,6-dichlorophenyl)methoxy]-3-methylphenyl]methanol
SMILESCc1cc(Br)cc(CO)c1OCc1c(Cl)cccc1Cl
InChIInChI=1S/C15H13BrCl2O2/c1-9-5-11(16)6-10(7-19)15(9)20-8-12-13(17)3-2-4-14(12)18/h2-6,19H,7-8H2,1H3
InChIKeyIBCNHPTZKPSNKO-UHFFFAOYSA-N
MW376.08 g/mol
LogP5.14
Rot. Bonds4

About [5-bromo-2-[(2,6-dichlorophenyl)methoxy]-3-methylphenyl]methanol

[5-bromo-2-[(2,6-dichlorophenyl)methoxy]-3-methylphenyl]methanol (PubChem CID 115962142) has the molecular formula C15H13BrCl2O2 and a molecular weight of 376.08 g/mol. Its IUPAC name is [5-bromo-2-[(2,6-dichlorophenyl)methoxy]-3-methylphenyl]methanol.

Molecular Properties

Compound Name[5-bromo-2-[(2,6-dichlorophenyl)methoxy]-3-methylphenyl]methanol
PubChem CID115962142
Molecular FormulaC15H13BrCl2O2
Molecular Weight376.08 g/mol
Exact Mass373.95
IUPAC Name[5-bromo-2-[(2,6-dichlorophenyl)methoxy]-3-methylphenyl]methanol
SMILESCc1cc(Br)cc(CO)c1OCc1c(Cl)cccc1Cl
InChIInChI=1S/C15H13BrCl2O2/c1-9-5-11(16)6-10(7-19)15(9)20-8-12-13(17)3-2-4-14(12)18/h2-6,19H,7-8H2,1H3
InChIKeyIBCNHPTZKPSNKO-UHFFFAOYSA-N
XLogP5.14
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.08
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [5-bromo-2-[(2,6-dichlorophenyl)methoxy]-3-methylphenyl]methanol with MolForge

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Related Compounds

5-bromo-1-(chloromethyl)-2-[(2,6-dichlorophenyl)methoxy]-3-methylbenzene
CID 115962273
[5-bromo-2-[(4-chlorophenyl)methoxy]-3-methylphenyl]methanol
CID 112621102
[5-bromo-2-[(3-chloro-4-pyridinyl)methoxy]-3-methylphenyl]methanol
CID 112620962
[5-bromo-2-[(2,3-difluorophenyl)methoxy]-3-methylphenyl]methanol
CID 115962216
[2-[(2,6-dichlorophenyl)methoxy]-5-fluoro-3-(hydroxymethyl)phenyl]methanol
CID 112788149
5-bromo-1-(bromomethyl)-2-[(2,3-dichlorophenyl)methoxy]-3-methylbenzene
CID 107306942
[5-bromo-2-[(4-fluorophenyl)methoxy]-3-methylphenyl]methanol
CID 112621009
[5-bromo-2-[2-(3-bromophenoxy)ethoxy]-3-methylphenyl]methanol
CID 115962143
1-(bromomethyl)-2-[(2,6-dichlorophenyl)methoxy]-3-methylbenzene
CID 112614167
[3-chloro-2-[(2,4,6-trimethylphenyl)methoxy]phenyl]methanol
CID 115956314
(5-bromo-3-methyl-2-propoxyphenyl)methanol
CID 112621128
3-[4-bromo-2-(hydroxymethyl)-6-methylphenoxy]propan-1-ol
CID 112620944

Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-[(2,6-dichlorophenyl)methoxy]-3-methylphenyl]methanol?
The IUPAC name of [5-bromo-2-[(2,6-dichlorophenyl)methoxy]-3-methylphenyl]methanol (CID 115962142) is [5-bromo-2-[(2,6-dichlorophenyl)methoxy]-3-methylphenyl]methanol.
What is the SMILES notation for [5-bromo-2-[(2,6-dichlorophenyl)methoxy]-3-methylphenyl]methanol?
The canonical SMILES for [5-bromo-2-[(2,6-dichlorophenyl)methoxy]-3-methylphenyl]methanol is Cc1cc(Br)cc(CO)c1OCc1c(Cl)cccc1Cl.
What is the InChIKey of [5-bromo-2-[(2,6-dichlorophenyl)methoxy]-3-methylphenyl]methanol?
The InChIKey is IBCNHPTZKPSNKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrCl2O2/c1-9-5-11(16)6-10(7-19)15(9)20-8-12-13(17)3-2-4-14(12)18/h2-6,19H,7-8H2,1H3.
What are the key properties of [5-bromo-2-[(2,6-dichlorophenyl)methoxy]-3-methylphenyl]methanol?
[5-bromo-2-[(2,6-dichlorophenyl)methoxy]-3-methylphenyl]methanol has a molecular weight of 376.08 g/mol, XLogP of 5.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-[(2,6-dichlorophenyl)methoxy]-3-methylphenyl]methanol is sourced from PubChem (CID 115962142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).