[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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).