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

C11H14Br2O2S — CID 107738867

IUPAC[3,5-dibromo-4-(3-methylsulfanylpropoxy)phenyl]methanol
SMILESCSCCCOc1c(Br)cc(CO)cc1Br
InChIInChI=1S/C11H14Br2O2S/c1-16-4-2-3-15-11-9(12)5-8(7-14)6-10(11)13/h5-6,14H,2-4,7H2,1H3
InChIKeyCAAUWMYQHGAAIC-UHFFFAOYSA-N
MW370.11 g/mol
LogP3.84
Rot. Bonds6

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

[3,5-dibromo-4-(3-methylsulfanylpropoxy)phenyl]methanol (PubChem CID 107738867) has the molecular formula C11H14Br2O2S and a molecular weight of 370.11 g/mol. Its IUPAC name is [3,5-dibromo-4-(3-methylsulfanylpropoxy)phenyl]methanol.

Molecular Properties

Compound Name[3,5-dibromo-4-(3-methylsulfanylpropoxy)phenyl]methanol
PubChem CID107738867
Molecular FormulaC11H14Br2O2S
Molecular Weight370.11 g/mol
Exact Mass367.91
IUPAC Name[3,5-dibromo-4-(3-methylsulfanylpropoxy)phenyl]methanol
SMILESCSCCCOc1c(Br)cc(CO)cc1Br
InChIInChI=1S/C11H14Br2O2S/c1-16-4-2-3-15-11-9(12)5-8(7-14)6-10(11)13/h5-6,14H,2-4,7H2,1H3
InChIKeyCAAUWMYQHGAAIC-UHFFFAOYSA-N
XLogP3.84
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.11
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [3,5-dibromo-4-(3-methylsulfanylpropoxy)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

Related Compounds

(3,5-dibromo-4-butoxyphenyl)methanol
CID 107738793
[3-bromo-4-(3-ethylsulfanylpropoxy)-5-methoxyphenyl]methanol
CID 113473758
4-[2,6-dibromo-4-(hydroxymethyl)phenoxy]-2-methylbutan-2-ol
CID 107738999
[3,5-dibromo-4-(2-phenylethoxy)phenyl]methanol
CID 107739120
(3-bromo-4-butoxy-5-ethoxyphenyl)methanol
CID 43627133
[3,5-dibromo-4-[2-(4-methoxyphenyl)ethoxy]phenyl]methanol
CID 107738736
[3,5-dibromo-4-(2-propan-2-ylsulfonylethoxy)phenyl]methanol
CID 107738877
[3,5-dibromo-4-(2-ethylbutoxy)phenyl]methanol
CID 107739092
(3,5-dibromo-4-prop-2-ynoxyphenyl)methanol
CID 107738820
[3,5-dibromo-4-(2-piperidin-1-ylethoxy)phenyl]methanol
CID 107738824
[3,5-dibromo-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanol
CID 107739097
N-[[3-bromo-4-(3-methylsulfanylpropoxy)phenyl]methyl]propan-2-amine
CID 113473368

Frequently Asked Questions

What is the IUPAC name of [3,5-dibromo-4-(3-methylsulfanylpropoxy)phenyl]methanol?
The IUPAC name of [3,5-dibromo-4-(3-methylsulfanylpropoxy)phenyl]methanol (CID 107738867) is [3,5-dibromo-4-(3-methylsulfanylpropoxy)phenyl]methanol.
What is the SMILES notation for [3,5-dibromo-4-(3-methylsulfanylpropoxy)phenyl]methanol?
The canonical SMILES for [3,5-dibromo-4-(3-methylsulfanylpropoxy)phenyl]methanol is CSCCCOc1c(Br)cc(CO)cc1Br.
What is the InChIKey of [3,5-dibromo-4-(3-methylsulfanylpropoxy)phenyl]methanol?
The InChIKey is CAAUWMYQHGAAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Br2O2S/c1-16-4-2-3-15-11-9(12)5-8(7-14)6-10(11)13/h5-6,14H,2-4,7H2,1H3.
What are the key properties of [3,5-dibromo-4-(3-methylsulfanylpropoxy)phenyl]methanol?
[3,5-dibromo-4-(3-methylsulfanylpropoxy)phenyl]methanol has a molecular weight of 370.11 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dibromo-4-(3-methylsulfanylpropoxy)phenyl]methanol is sourced from PubChem (CID 107738867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).