[5-bromo-2-(2-bromoprop-2-enoxy)-3-methylphenyl]methanol

C11H12Br2O2 — CID 112621176

IUPAC[5-bromo-2-(2-bromoprop-2-enoxy)-3-methylphenyl]methanol
SMILESC=C(Br)COc1c(C)cc(Br)cc1CO
InChIInChI=1S/C11H12Br2O2/c1-7-3-10(13)4-9(5-14)11(7)15-6-8(2)12/h3-4,14H,2,5-6H2,1H3
InChIKeyOSCXEQPTSKVOQU-UHFFFAOYSA-N
MW336.02 g/mol
LogP3.54
Rot. Bonds4

About [5-bromo-2-(2-bromoprop-2-enoxy)-3-methylphenyl]methanol

[5-bromo-2-(2-bromoprop-2-enoxy)-3-methylphenyl]methanol (PubChem CID 112621176) has the molecular formula C11H12Br2O2 and a molecular weight of 336.02 g/mol. Its IUPAC name is [5-bromo-2-(2-bromoprop-2-enoxy)-3-methylphenyl]methanol.

Molecular Properties

Compound Name[5-bromo-2-(2-bromoprop-2-enoxy)-3-methylphenyl]methanol
PubChem CID112621176
Molecular FormulaC11H12Br2O2
Molecular Weight336.02 g/mol
Exact Mass333.92
IUPAC Name[5-bromo-2-(2-bromoprop-2-enoxy)-3-methylphenyl]methanol
SMILESC=C(Br)COc1c(C)cc(Br)cc1CO
InChIInChI=1S/C11H12Br2O2/c1-7-3-10(13)4-9(5-14)11(7)15-6-8(2)12/h3-4,14H,2,5-6H2,1H3
InChIKeyOSCXEQPTSKVOQU-UHFFFAOYSA-N
XLogP3.54
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.02
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[5-bromo-2-(2-bromoprop-2-enoxy)-3-methylphenyl]methyl]-2-methylpropan-2-amine
CID 112620477
(5-bromo-3-methyl-2-propoxyphenyl)methanol
CID 112621128
3-[4-bromo-2-(hydroxymethyl)-6-methylphenoxy]propan-1-ol
CID 112620944
(5-bromo-2-methoxy-3-methylphenyl)methanol
CID 58993702
2-[4-bromo-2-(hydroxymethyl)-6-methylphenoxy]-1-piperidin-1-ylethanone
CID 115962201
[5-bromo-2-(cyclobutylmethoxy)-3-methylphenyl]methanol
CID 112621165
2-[4-bromo-2-(hydroxymethyl)-6-methylphenoxy]-N-pentan-3-ylacetamide
CID 115962242
butyl 2-[4-bromo-2-(hydroxymethyl)-6-methylphenoxy]acetate
CID 112621145
2-[4-bromo-2-(hydroxymethyl)-6-methylphenoxy]-N-prop-2-ynylacetamide
CID 112620979
2-[4-bromo-2-(hydroxymethyl)-6-methylphenoxy]-N-butan-2-ylacetamide
CID 112621010
2-(2-bromoprop-2-enoxy)-5-chloro-1,3-dimethylbenzene
CID 130642496
[5-bromo-2-(2-butoxyethoxy)-3-methylphenyl]methanol
CID 112621049

Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-(2-bromoprop-2-enoxy)-3-methylphenyl]methanol?
The IUPAC name of [5-bromo-2-(2-bromoprop-2-enoxy)-3-methylphenyl]methanol (CID 112621176) is [5-bromo-2-(2-bromoprop-2-enoxy)-3-methylphenyl]methanol.
What is the SMILES notation for [5-bromo-2-(2-bromoprop-2-enoxy)-3-methylphenyl]methanol?
The canonical SMILES for [5-bromo-2-(2-bromoprop-2-enoxy)-3-methylphenyl]methanol is C=C(Br)COc1c(C)cc(Br)cc1CO.
What is the InChIKey of [5-bromo-2-(2-bromoprop-2-enoxy)-3-methylphenyl]methanol?
The InChIKey is OSCXEQPTSKVOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Br2O2/c1-7-3-10(13)4-9(5-14)11(7)15-6-8(2)12/h3-4,14H,2,5-6H2,1H3.
What are the key properties of [5-bromo-2-(2-bromoprop-2-enoxy)-3-methylphenyl]methanol?
[5-bromo-2-(2-bromoprop-2-enoxy)-3-methylphenyl]methanol has a molecular weight of 336.02 g/mol, XLogP of 3.54, 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-bromoprop-2-enoxy)-3-methylphenyl]methanol is sourced from PubChem (CID 112621176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).