3-(4-bromonaphthalen-1-yl)-3-methylbutan-1-ol

C15H17BrO — CID 79838004

IUPAC3-(4-bromonaphthalen-1-yl)-3-methylbutan-1-ol
SMILESCC(C)(CCO)c1ccc(Br)c2ccccc12
InChIInChI=1S/C15H17BrO/c1-15(2,9-10-17)13-7-8-14(16)12-6-4-3-5-11(12)13/h3-8,17H,9-10H2,1-2H3
InChIKeyAFZRRLKDDWAQAY-UHFFFAOYSA-N
MW293.20 g/mol
LogP4.26
Rot. Bonds3

About 3-(4-bromonaphthalen-1-yl)-3-methylbutan-1-ol

3-(4-bromonaphthalen-1-yl)-3-methylbutan-1-ol (PubChem CID 79838004) has the molecular formula C15H17BrO and a molecular weight of 293.20 g/mol. Its IUPAC name is 3-(4-bromonaphthalen-1-yl)-3-methylbutan-1-ol.

Molecular Properties

Compound Name3-(4-bromonaphthalen-1-yl)-3-methylbutan-1-ol
PubChem CID79838004
Molecular FormulaC15H17BrO
Molecular Weight293.20 g/mol
Exact Mass292.05
IUPAC Name3-(4-bromonaphthalen-1-yl)-3-methylbutan-1-ol
SMILESCC(C)(CCO)c1ccc(Br)c2ccccc12
InChIInChI=1S/C15H17BrO/c1-15(2,9-10-17)13-7-8-14(16)12-6-4-3-5-11(12)13/h3-8,17H,9-10H2,1-2H3
InChIKeyAFZRRLKDDWAQAY-UHFFFAOYSA-N
XLogP4.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.20
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(4-bromonaphthalen-1-yl)-3-methylbutan-1-ol 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-(4-bromonaphthalen-1-yl)-3-methylbutan-1-ol?
The IUPAC name of 3-(4-bromonaphthalen-1-yl)-3-methylbutan-1-ol (CID 79838004) is 3-(4-bromonaphthalen-1-yl)-3-methylbutan-1-ol.
What is the SMILES notation for 3-(4-bromonaphthalen-1-yl)-3-methylbutan-1-ol?
The canonical SMILES for 3-(4-bromonaphthalen-1-yl)-3-methylbutan-1-ol is CC(C)(CCO)c1ccc(Br)c2ccccc12.
What is the InChIKey of 3-(4-bromonaphthalen-1-yl)-3-methylbutan-1-ol?
The InChIKey is AFZRRLKDDWAQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrO/c1-15(2,9-10-17)13-7-8-14(16)12-6-4-3-5-11(12)13/h3-8,17H,9-10H2,1-2H3.
What are the key properties of 3-(4-bromonaphthalen-1-yl)-3-methylbutan-1-ol?
3-(4-bromonaphthalen-1-yl)-3-methylbutan-1-ol has a molecular weight of 293.20 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromonaphthalen-1-yl)-3-methylbutan-1-ol is sourced from PubChem (CID 79838004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).