(3,5-dibromo-4-butoxyphenyl)methanol

C11H14Br2O2 — CID 107738793

IUPAC(3,5-dibromo-4-butoxyphenyl)methanol
SMILESCCCCOc1c(Br)cc(CO)cc1Br
InChIInChI=1S/C11H14Br2O2/c1-2-3-4-15-11-9(12)5-8(7-14)6-10(11)13/h5-6,14H,2-4,7H2,1H3
InChIKeyGXTKXXOZWSVHOP-UHFFFAOYSA-N
MW338.04 g/mol
LogP3.88
Rot. Bonds5

About (3,5-dibromo-4-butoxyphenyl)methanol

(3,5-dibromo-4-butoxyphenyl)methanol (PubChem CID 107738793) has the molecular formula C11H14Br2O2 and a molecular weight of 338.04 g/mol. Its IUPAC name is (3,5-dibromo-4-butoxyphenyl)methanol.

Molecular Properties

Compound Name(3,5-dibromo-4-butoxyphenyl)methanol
PubChem CID107738793
Molecular FormulaC11H14Br2O2
Molecular Weight338.04 g/mol
Exact Mass335.94
IUPAC Name(3,5-dibromo-4-butoxyphenyl)methanol
SMILESCCCCOc1c(Br)cc(CO)cc1Br
InChIInChI=1S/C11H14Br2O2/c1-2-3-4-15-11-9(12)5-8(7-14)6-10(11)13/h5-6,14H,2-4,7H2,1H3
InChIKeyGXTKXXOZWSVHOP-UHFFFAOYSA-N
XLogP3.88
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.04
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3,5-dibromo-4-butoxyphenyl)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-bromo-4-butoxy-5-ethoxyphenyl)methanol
CID 43627133
[3,5-dibromo-4-(3-methylsulfanylpropoxy)phenyl]methanol
CID 107738867
4-[2,6-dibromo-4-(hydroxymethyl)phenoxy]-2-methylbutan-2-ol
CID 107738999
[3,5-dibromo-4-[2-(4-methoxyphenyl)ethoxy]phenyl]methanol
CID 107738736
[3,5-dibromo-4-(2-ethylbutoxy)phenyl]methanol
CID 107739092
N-[(3,5-dibromo-4-heptoxyphenyl)methyl]ethanamine
CID 107742175
[3,5-dibromo-4-(2-phenylethoxy)phenyl]methanol
CID 107739120
1-[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]-3-butoxypropan-2-ol
CID 107263393
3,5-dibromo-4-butoxybenzaldehyde
CID 103601560
(4-heptoxy-3,5-dimethylphenyl)methanol
CID 43129630
[3,5-dibromo-4-(2-propan-2-ylsulfonylethoxy)phenyl]methanol
CID 107738877
[4-(2-butoxyethoxy)-3,5-dimethylphenyl]methanol
CID 54956081

Frequently Asked Questions

What is the IUPAC name of (3,5-dibromo-4-butoxyphenyl)methanol?
The IUPAC name of (3,5-dibromo-4-butoxyphenyl)methanol (CID 107738793) is (3,5-dibromo-4-butoxyphenyl)methanol.
What is the SMILES notation for (3,5-dibromo-4-butoxyphenyl)methanol?
The canonical SMILES for (3,5-dibromo-4-butoxyphenyl)methanol is CCCCOc1c(Br)cc(CO)cc1Br.
What is the InChIKey of (3,5-dibromo-4-butoxyphenyl)methanol?
The InChIKey is GXTKXXOZWSVHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Br2O2/c1-2-3-4-15-11-9(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-butoxyphenyl)methanol?
(3,5-dibromo-4-butoxyphenyl)methanol has a molecular weight of 338.04 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dibromo-4-butoxyphenyl)methanol is sourced from PubChem (CID 107738793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).