1-bromo-2-[(3,3-dimethylcyclobutyl)methoxy]benzene

C13H17BrO — CID 99992058

IUPAC1-bromo-2-[(3,3-dimethylcyclobutyl)methoxy]benzene
SMILESCC1(C)CC(COc2ccccc2Br)C1
InChIInChI=1S/C13H17BrO/c1-13(2)7-10(8-13)9-15-12-6-4-3-5-11(12)14/h3-6,10H,7-9H2,1-2H3
InChIKeyNHNWZZLFPDZELH-UHFFFAOYSA-N
MW269.18 g/mol
LogP4.26
Rot. Bonds3

About 1-bromo-2-[(3,3-dimethylcyclobutyl)methoxy]benzene

1-bromo-2-[(3,3-dimethylcyclobutyl)methoxy]benzene (PubChem CID 99992058) has the molecular formula C13H17BrO and a molecular weight of 269.18 g/mol. Its IUPAC name is 1-bromo-2-[(3,3-dimethylcyclobutyl)methoxy]benzene.

Molecular Properties

Compound Name1-bromo-2-[(3,3-dimethylcyclobutyl)methoxy]benzene
PubChem CID99992058
Molecular FormulaC13H17BrO
Molecular Weight269.18 g/mol
Exact Mass268.05
IUPAC Name1-bromo-2-[(3,3-dimethylcyclobutyl)methoxy]benzene
SMILESCC1(C)CC(COc2ccccc2Br)C1
InChIInChI=1S/C13H17BrO/c1-13(2)7-10(8-13)9-15-12-6-4-3-5-11(12)14/h3-6,10H,7-9H2,1-2H3
InChIKeyNHNWZZLFPDZELH-UHFFFAOYSA-N
XLogP4.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.18
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-bromo-2-[(3,3-dimethylcyclobutyl)methoxy]benzene 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 1-bromo-2-[(3,3-dimethylcyclobutyl)methoxy]benzene?
The IUPAC name of 1-bromo-2-[(3,3-dimethylcyclobutyl)methoxy]benzene (CID 99992058) is 1-bromo-2-[(3,3-dimethylcyclobutyl)methoxy]benzene.
What is the SMILES notation for 1-bromo-2-[(3,3-dimethylcyclobutyl)methoxy]benzene?
The canonical SMILES for 1-bromo-2-[(3,3-dimethylcyclobutyl)methoxy]benzene is CC1(C)CC(COc2ccccc2Br)C1.
What is the InChIKey of 1-bromo-2-[(3,3-dimethylcyclobutyl)methoxy]benzene?
The InChIKey is NHNWZZLFPDZELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrO/c1-13(2)7-10(8-13)9-15-12-6-4-3-5-11(12)14/h3-6,10H,7-9H2,1-2H3.
What are the key properties of 1-bromo-2-[(3,3-dimethylcyclobutyl)methoxy]benzene?
1-bromo-2-[(3,3-dimethylcyclobutyl)methoxy]benzene has a molecular weight of 269.18 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-[(3,3-dimethylcyclobutyl)methoxy]benzene is sourced from PubChem (CID 99992058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).