1-(2-bromooctyl)-2-methoxybenzene

C15H23BrO — CID 114753891

IUPAC1-(2-bromooctyl)-2-methoxybenzene
SMILESCCCCCCC(Br)Cc1ccccc1OC
InChIInChI=1S/C15H23BrO/c1-3-4-5-6-10-14(16)12-13-9-7-8-11-15(13)17-2/h7-9,11,14H,3-6,10,12H2,1-2H3
InChIKeyHGWNBIBHEZSEJF-UHFFFAOYSA-N
MW299.25 g/mol
LogP4.97
Rot. Bonds8

About 1-(2-bromooctyl)-2-methoxybenzene

1-(2-bromooctyl)-2-methoxybenzene (PubChem CID 114753891) has the molecular formula C15H23BrO and a molecular weight of 299.25 g/mol. Its IUPAC name is 1-(2-bromooctyl)-2-methoxybenzene.

Molecular Properties

Compound Name1-(2-bromooctyl)-2-methoxybenzene
PubChem CID114753891
Molecular FormulaC15H23BrO
Molecular Weight299.25 g/mol
Exact Mass298.09
IUPAC Name1-(2-bromooctyl)-2-methoxybenzene
SMILESCCCCCCC(Br)Cc1ccccc1OC
InChIInChI=1S/C15H23BrO/c1-3-4-5-6-10-14(16)12-13-9-7-8-11-15(13)17-2/h7-9,11,14H,3-6,10,12H2,1-2H3
InChIKeyHGWNBIBHEZSEJF-UHFFFAOYSA-N
XLogP4.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.25
LogP ≤ 54.97
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-(2-bromooctyl)-2-methoxybenzene 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

2-[(2-methoxyphenyl)methyl]undecan-1-amine
CID 63497601
1-(2-bromodecyl)naphthalene
CID 65428546
1-methoxy-2-tetradecylbenzene
CID 69169530
1-(2-methoxyphenyl)hexan-2-ol
CID 62607835
1-(2-ethylhexyl)-2-methoxybenzene
CID 160716483
1-[2-bromo-4-(4-methoxyphenyl)butyl]-2-methoxybenzene
CID 63543653
2-bromotridecylbenzene
CID 65427778
1-(2-bromodecyl)-2-nitrobenzene
CID 65428547
N-[1-(2-methoxyphenyl)propan-2-yl]pentan-1-amine
CID 43757590
1-bromo-4-[2-bromo-3-(2-methoxyphenyl)propyl]benzene
CID 121269535
1-(2-chloro-3-ethylheptyl)-2-methoxybenzene
CID 63544392
N-[(2-methoxyphenyl)methyl]hexan-1-amine
CID 4716798

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromooctyl)-2-methoxybenzene?
The IUPAC name of 1-(2-bromooctyl)-2-methoxybenzene (CID 114753891) is 1-(2-bromooctyl)-2-methoxybenzene.
What is the SMILES notation for 1-(2-bromooctyl)-2-methoxybenzene?
The canonical SMILES for 1-(2-bromooctyl)-2-methoxybenzene is CCCCCCC(Br)Cc1ccccc1OC.
What is the InChIKey of 1-(2-bromooctyl)-2-methoxybenzene?
The InChIKey is HGWNBIBHEZSEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrO/c1-3-4-5-6-10-14(16)12-13-9-7-8-11-15(13)17-2/h7-9,11,14H,3-6,10,12H2,1-2H3.
What are the key properties of 1-(2-bromooctyl)-2-methoxybenzene?
1-(2-bromooctyl)-2-methoxybenzene has a molecular weight of 299.25 g/mol, XLogP of 4.97, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromooctyl)-2-methoxybenzene is sourced from PubChem (CID 114753891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).