3-(bromomethyl)-1-(3-methoxypropyl)naphthalene

C15H17BrO — CID 67542320

IUPAC3-(bromomethyl)-1-(3-methoxypropyl)naphthalene
SMILESCOCCCc1cc(CBr)cc2ccccc12
InChIInChI=1S/C15H17BrO/c1-17-8-4-6-14-10-12(11-16)9-13-5-2-3-7-15(13)14/h2-3,5,7,9-10H,4,6,8,11H2,1H3
InChIKeyNJGVRDIZTKCIRL-UHFFFAOYSA-N
MW293.20 g/mol
LogP4.31
Rot. Bonds5

About 3-(bromomethyl)-1-(3-methoxypropyl)naphthalene

3-(bromomethyl)-1-(3-methoxypropyl)naphthalene (PubChem CID 67542320) has the molecular formula C15H17BrO and a molecular weight of 293.20 g/mol. Its IUPAC name is 3-(bromomethyl)-1-(3-methoxypropyl)naphthalene.

Molecular Properties

Compound Name3-(bromomethyl)-1-(3-methoxypropyl)naphthalene
PubChem CID67542320
Molecular FormulaC15H17BrO
Molecular Weight293.20 g/mol
Exact Mass292.05
IUPAC Name3-(bromomethyl)-1-(3-methoxypropyl)naphthalene
SMILESCOCCCc1cc(CBr)cc2ccccc12
InChIInChI=1S/C15H17BrO/c1-17-8-4-6-14-10-12(11-16)9-13-5-2-3-7-15(13)14/h2-3,5,7,9-10H,4,6,8,11H2,1H3
InChIKeyNJGVRDIZTKCIRL-UHFFFAOYSA-N
XLogP4.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.20
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-(bromomethyl)-1-(3-methoxypropyl)naphthalene 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-(bromomethyl)-1-(3-methoxypropyl)naphthalene?
The IUPAC name of 3-(bromomethyl)-1-(3-methoxypropyl)naphthalene (CID 67542320) is 3-(bromomethyl)-1-(3-methoxypropyl)naphthalene.
What is the SMILES notation for 3-(bromomethyl)-1-(3-methoxypropyl)naphthalene?
The canonical SMILES for 3-(bromomethyl)-1-(3-methoxypropyl)naphthalene is COCCCc1cc(CBr)cc2ccccc12.
What is the InChIKey of 3-(bromomethyl)-1-(3-methoxypropyl)naphthalene?
The InChIKey is NJGVRDIZTKCIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrO/c1-17-8-4-6-14-10-12(11-16)9-13-5-2-3-7-15(13)14/h2-3,5,7,9-10H,4,6,8,11H2,1H3.
What are the key properties of 3-(bromomethyl)-1-(3-methoxypropyl)naphthalene?
3-(bromomethyl)-1-(3-methoxypropyl)naphthalene has a molecular weight of 293.20 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-1-(3-methoxypropyl)naphthalene is sourced from PubChem (CID 67542320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).