(1-bromo-6-methoxyhexyl)benzene

C13H19BrO — CID 64508790

IUPAC(1-bromo-6-methoxyhexyl)benzene
SMILESCOCCCCCC(Br)c1ccccc1
InChIInChI=1S/C13H19BrO/c1-15-11-7-3-6-10-13(14)12-8-4-2-5-9-12/h2,4-5,8-9,13H,3,6-7,10-11H2,1H3
InChIKeySFNIJRPCURISLW-UHFFFAOYSA-N
MW271.20 g/mol
LogP4.33
Rot. Bonds7

About (1-bromo-6-methoxyhexyl)benzene

(1-bromo-6-methoxyhexyl)benzene (PubChem CID 64508790) has the molecular formula C13H19BrO and a molecular weight of 271.20 g/mol. Its IUPAC name is (1-bromo-6-methoxyhexyl)benzene.

Molecular Properties

Compound Name(1-bromo-6-methoxyhexyl)benzene
PubChem CID64508790
Molecular FormulaC13H19BrO
Molecular Weight271.20 g/mol
Exact Mass270.06
IUPAC Name(1-bromo-6-methoxyhexyl)benzene
SMILESCOCCCCCC(Br)c1ccccc1
InChIInChI=1S/C13H19BrO/c1-15-11-7-3-6-10-13(14)12-8-4-2-5-9-12/h2,4-5,8-9,13H,3,6-7,10-11H2,1H3
InChIKeySFNIJRPCURISLW-UHFFFAOYSA-N
XLogP4.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 54.33
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 (1-bromo-6-methoxyhexyl)benzene 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

[(1R)-1-bromo-3-methoxypropyl]benzene
CID 129389905
(1,6-dimethoxy-4-phenylhexan-3-yl)benzene
CID 12709498
1-(1-bromodecyl)-4-(2-methoxyethyl)benzene
CID 65428907
(1-bromo-6-methylhept-6-enyl)benzene
CID 114477375
1-(1-bromoheptyl)-4-phenoxybenzene
CID 114753560
4-methoxybutyl(triphenyl)phosphanium
CID 86618875
1-bromohept-6-ynylbenzene
CID 64506326
N-ethyl-6-methoxy-2-phenylhexan-1-amine
CID 81024742
benzene;[(1R)-1,2-dimethoxyethyl]benzene
CID 178156280
N-ethyl-7-methoxy-2-phenylheptan-3-amine
CID 112754792
N-tert-butyl-6-methoxy-2-phenylhexan-1-amine
CID 81024230
[methoxy(2-methoxyethoxy)methyl]benzene
CID 139725330

Frequently Asked Questions

What is the IUPAC name of (1-bromo-6-methoxyhexyl)benzene?
The IUPAC name of (1-bromo-6-methoxyhexyl)benzene (CID 64508790) is (1-bromo-6-methoxyhexyl)benzene.
What is the SMILES notation for (1-bromo-6-methoxyhexyl)benzene?
The canonical SMILES for (1-bromo-6-methoxyhexyl)benzene is COCCCCCC(Br)c1ccccc1.
What is the InChIKey of (1-bromo-6-methoxyhexyl)benzene?
The InChIKey is SFNIJRPCURISLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrO/c1-15-11-7-3-6-10-13(14)12-8-4-2-5-9-12/h2,4-5,8-9,13H,3,6-7,10-11H2,1H3.
What are the key properties of (1-bromo-6-methoxyhexyl)benzene?
(1-bromo-6-methoxyhexyl)benzene has a molecular weight of 271.20 g/mol, XLogP of 4.33, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-bromo-6-methoxyhexyl)benzene is sourced from PubChem (CID 64508790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).