[3,5-dibromo-4-(cyclobutylmethoxy)phenyl]methanol

C12H14Br2O2 — CID 107738957

IUPAC[3,5-dibromo-4-(cyclobutylmethoxy)phenyl]methanol
SMILESOCc1cc(Br)c(OCC2CCC2)c(Br)c1
InChIInChI=1S/C12H14Br2O2/c13-10-4-9(6-15)5-11(14)12(10)16-7-8-2-1-3-8/h4-5,8,15H,1-3,6-7H2
InChIKeyDHMIBKKEESLEKV-UHFFFAOYSA-N
MW350.05 g/mol
LogP3.88
Rot. Bonds4

About [3,5-dibromo-4-(cyclobutylmethoxy)phenyl]methanol

[3,5-dibromo-4-(cyclobutylmethoxy)phenyl]methanol (PubChem CID 107738957) has the molecular formula C12H14Br2O2 and a molecular weight of 350.05 g/mol. Its IUPAC name is [3,5-dibromo-4-(cyclobutylmethoxy)phenyl]methanol.

Molecular Properties

Compound Name[3,5-dibromo-4-(cyclobutylmethoxy)phenyl]methanol
PubChem CID107738957
Molecular FormulaC12H14Br2O2
Molecular Weight350.05 g/mol
Exact Mass347.94
IUPAC Name[3,5-dibromo-4-(cyclobutylmethoxy)phenyl]methanol
SMILESOCc1cc(Br)c(OCC2CCC2)c(Br)c1
InChIInChI=1S/C12H14Br2O2/c13-10-4-9(6-15)5-11(14)12(10)16-7-8-2-1-3-8/h4-5,8,15H,1-3,6-7H2
InChIKeyDHMIBKKEESLEKV-UHFFFAOYSA-N
XLogP3.88
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.05
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-bromo-4-(cyclobutylmethoxy)-5-ethoxyphenyl]methanol
CID 65459217
[4-(cyclobutylmethoxy)-3,5-dimethylphenyl]methanol
CID 65457601
[4-(cyclobutylmethoxy)-3,5-dimethoxyphenyl]methanol
CID 65458991
[3-bromo-5-(cyclopentylmethoxy)phenyl]methanol
CID 162342873
1-bromo-5-(bromomethyl)-2-(cyclobutylmethoxy)-3-ethoxybenzene
CID 65459224
1-bromo-5-(chloromethyl)-2-(cyclohexylmethoxy)-3-methoxybenzene
CID 43622731
[4-(cyclohexylmethoxy)-3,5-dimethoxyphenyl]methanol
CID 15752535
[3-chloro-4-(cyclopentylmethoxy)-5-methoxyphenyl]methanol
CID 61343380
1-bromo-5-(bromomethyl)-2-(cyclopentylmethoxy)-3-methoxybenzene
CID 63535191
[5-bromo-2-(cyclobutylmethoxy)-3-methylphenyl]methanol
CID 112621165
5-(chloromethyl)-2-(cyclobutylmethoxy)-1,3-dimethylbenzene
CID 65460366
[3-chloro-5-(cyclopentylmethoxy)phenyl]methanol
CID 138485153

Frequently Asked Questions

What is the IUPAC name of [3,5-dibromo-4-(cyclobutylmethoxy)phenyl]methanol?
The IUPAC name of [3,5-dibromo-4-(cyclobutylmethoxy)phenyl]methanol (CID 107738957) is [3,5-dibromo-4-(cyclobutylmethoxy)phenyl]methanol.
What is the SMILES notation for [3,5-dibromo-4-(cyclobutylmethoxy)phenyl]methanol?
The canonical SMILES for [3,5-dibromo-4-(cyclobutylmethoxy)phenyl]methanol is OCc1cc(Br)c(OCC2CCC2)c(Br)c1.
What is the InChIKey of [3,5-dibromo-4-(cyclobutylmethoxy)phenyl]methanol?
The InChIKey is DHMIBKKEESLEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Br2O2/c13-10-4-9(6-15)5-11(14)12(10)16-7-8-2-1-3-8/h4-5,8,15H,1-3,6-7H2.
What are the key properties of [3,5-dibromo-4-(cyclobutylmethoxy)phenyl]methanol?
[3,5-dibromo-4-(cyclobutylmethoxy)phenyl]methanol has a molecular weight of 350.05 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dibromo-4-(cyclobutylmethoxy)phenyl]methanol is sourced from PubChem (CID 107738957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).