[3-bromo-4-(2,6-dimethylphenoxy)phenyl]methanol

C15H15BrO2 — CID 139341756

IUPAC[3-bromo-4-(2,6-dimethylphenoxy)phenyl]methanol
SMILESCc1cccc(C)c1Oc1ccc(CO)cc1Br
InChIInChI=1S/C15H15BrO2/c1-10-4-3-5-11(2)15(10)18-14-7-6-12(9-17)8-13(14)16/h3-8,17H,9H2,1-2H3
InChIKeyNAZYVLDIUJLYEP-UHFFFAOYSA-N
MW307.19 g/mol
LogP4.35
Rot. Bonds3

About [3-bromo-4-(2,6-dimethylphenoxy)phenyl]methanol

[3-bromo-4-(2,6-dimethylphenoxy)phenyl]methanol (PubChem CID 139341756) has the molecular formula C15H15BrO2 and a molecular weight of 307.19 g/mol. Its IUPAC name is [3-bromo-4-(2,6-dimethylphenoxy)phenyl]methanol.

Molecular Properties

Compound Name[3-bromo-4-(2,6-dimethylphenoxy)phenyl]methanol
PubChem CID139341756
Molecular FormulaC15H15BrO2
Molecular Weight307.19 g/mol
Exact Mass306.03
IUPAC Name[3-bromo-4-(2,6-dimethylphenoxy)phenyl]methanol
SMILESCc1cccc(C)c1Oc1ccc(CO)cc1Br
InChIInChI=1S/C15H15BrO2/c1-10-4-3-5-11(2)15(10)18-14-7-6-12(9-17)8-13(14)16/h3-8,17H,9H2,1-2H3
InChIKeyNAZYVLDIUJLYEP-UHFFFAOYSA-N
XLogP4.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-bromo-4-(2-bromo-4-chlorophenoxy)phenyl]methanol
CID 114062434
2-[4-(hydroxymethyl)-2-methoxyphenoxy]-3-methylbenzenecarboximidamide
CID 107743296
2-(2-bromo-4-ethylphenoxy)-N'-[2-(2,6-dimethylphenoxy)acetyl]acetohydrazide
CID 4504195
[4-(4-bromo-2,5-dichlorophenoxy)-3-methylphenyl]methanol
CID 107659090
[4-(2-bromophenoxy)-3-chlorophenyl]methanol
CID 81152045
2-bromo-4-[[2-(chloromethyl)-6-methylphenoxy]methyl]-1-methoxybenzene
CID 115956472
3-[2-bromo-4-(hydroxymethyl)phenoxy]propan-1-ol
CID 63050271
[3-(2-amino-6-methylphenoxy)phenyl]methanol
CID 115550948
1-[3-bromo-4-[3-(hydroxymethyl)phenoxy]phenyl]ethanone
CID 62910215
[4-(4-bromo-2-chlorophenoxy)-3-methylphenyl]methanol
CID 63540802
[3-bromo-4-(2-phenoxyethoxy)phenyl]methanol
CID 55146760
[3-bromo-4-(2-phenylethoxy)phenyl]methanol
CID 63050620

Frequently Asked Questions

What is the IUPAC name of [3-bromo-4-(2,6-dimethylphenoxy)phenyl]methanol?
The IUPAC name of [3-bromo-4-(2,6-dimethylphenoxy)phenyl]methanol (CID 139341756) is [3-bromo-4-(2,6-dimethylphenoxy)phenyl]methanol.
What is the SMILES notation for [3-bromo-4-(2,6-dimethylphenoxy)phenyl]methanol?
The canonical SMILES for [3-bromo-4-(2,6-dimethylphenoxy)phenyl]methanol is Cc1cccc(C)c1Oc1ccc(CO)cc1Br.
What is the InChIKey of [3-bromo-4-(2,6-dimethylphenoxy)phenyl]methanol?
The InChIKey is NAZYVLDIUJLYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrO2/c1-10-4-3-5-11(2)15(10)18-14-7-6-12(9-17)8-13(14)16/h3-8,17H,9H2,1-2H3.
What are the key properties of [3-bromo-4-(2,6-dimethylphenoxy)phenyl]methanol?
[3-bromo-4-(2,6-dimethylphenoxy)phenyl]methanol has a molecular weight of 307.19 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-4-(2,6-dimethylphenoxy)phenyl]methanol is sourced from PubChem (CID 139341756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).