[5-bromo-2-(cyclobutylmethoxy)-3-methylphenyl]methanol

C13H17BrO2 — CID 112621165

IUPAC[5-bromo-2-(cyclobutylmethoxy)-3-methylphenyl]methanol
SMILESCc1cc(Br)cc(CO)c1OCC1CCC1
InChIInChI=1S/C13H17BrO2/c1-9-5-12(14)6-11(7-15)13(9)16-8-10-3-2-4-10/h5-6,10,15H,2-4,7-8H2,1H3
InChIKeyZVWWDAVHTCUWJK-UHFFFAOYSA-N
MW285.18 g/mol
LogP3.43
Rot. Bonds4

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

[5-bromo-2-(cyclobutylmethoxy)-3-methylphenyl]methanol (PubChem CID 112621165) has the molecular formula C13H17BrO2 and a molecular weight of 285.18 g/mol. Its IUPAC name is [5-bromo-2-(cyclobutylmethoxy)-3-methylphenyl]methanol.

Molecular Properties

Compound Name[5-bromo-2-(cyclobutylmethoxy)-3-methylphenyl]methanol
PubChem CID112621165
Molecular FormulaC13H17BrO2
Molecular Weight285.18 g/mol
Exact Mass284.04
IUPAC Name[5-bromo-2-(cyclobutylmethoxy)-3-methylphenyl]methanol
SMILESCc1cc(Br)cc(CO)c1OCC1CCC1
InChIInChI=1S/C13H17BrO2/c1-9-5-12(14)6-11(7-15)13(9)16-8-10-3-2-4-10/h5-6,10,15H,2-4,7-8H2,1H3
InChIKeyZVWWDAVHTCUWJK-UHFFFAOYSA-N
XLogP3.43
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.18
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[5-bromo-2-(cyclobutylmethoxy)-3-methylphenyl]methyl]-2-methylpropan-2-amine
CID 115961722
N-[[5-bromo-2-(cyclopropylmethoxy)-3-methylphenyl]methyl]propan-2-amine
CID 112620322
5-bromo-2-(cyclobutylmethoxy)-3-methylbenzonitrile
CID 171919359
[4-(cyclobutylmethoxy)-3,5-dimethylphenyl]methanol
CID 65457601
(5-bromo-3-methyl-2-propoxyphenyl)methanol
CID 112621128
3-[4-bromo-2-(hydroxymethyl)-6-methylphenoxy]propan-1-ol
CID 112620944
1-[5-bromo-2-(cyclopropylmethoxy)-3-methylphenyl]butan-2-amine
CID 112621766
(5-bromo-2-methoxy-3-methylphenyl)methanol
CID 58993702
[5-bromo-3-methyl-2-(4-methylcyclohexyl)oxyphenyl]methanol
CID 112621149
[5-bromo-2-(2-bromoprop-2-enoxy)-3-methylphenyl]methanol
CID 112621176
[3,5-dibromo-4-(cyclobutylmethoxy)phenyl]methanol
CID 107738957
[5-bromo-2-(2-butoxyethoxy)-3-methylphenyl]methanol
CID 112621049

Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-(cyclobutylmethoxy)-3-methylphenyl]methanol?
The IUPAC name of [5-bromo-2-(cyclobutylmethoxy)-3-methylphenyl]methanol (CID 112621165) is [5-bromo-2-(cyclobutylmethoxy)-3-methylphenyl]methanol.
What is the SMILES notation for [5-bromo-2-(cyclobutylmethoxy)-3-methylphenyl]methanol?
The canonical SMILES for [5-bromo-2-(cyclobutylmethoxy)-3-methylphenyl]methanol is Cc1cc(Br)cc(CO)c1OCC1CCC1.
What is the InChIKey of [5-bromo-2-(cyclobutylmethoxy)-3-methylphenyl]methanol?
The InChIKey is ZVWWDAVHTCUWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrO2/c1-9-5-12(14)6-11(7-15)13(9)16-8-10-3-2-4-10/h5-6,10,15H,2-4,7-8H2,1H3.
What are the key properties of [5-bromo-2-(cyclobutylmethoxy)-3-methylphenyl]methanol?
[5-bromo-2-(cyclobutylmethoxy)-3-methylphenyl]methanol has a molecular weight of 285.18 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-(cyclobutylmethoxy)-3-methylphenyl]methanol is sourced from PubChem (CID 112621165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).