1-[2-(bromomethyl)-5-methoxypentyl]-3-methoxybenzene

C14H21BrO2 — CID 66041333

IUPAC1-[2-(bromomethyl)-5-methoxypentyl]-3-methoxybenzene
SMILESCOCCCC(CBr)Cc1cccc(OC)c1
InChIInChI=1S/C14H21BrO2/c1-16-8-4-6-13(11-15)9-12-5-3-7-14(10-12)17-2/h3,5,7,10,13H,4,6,8-9,11H2,1-2H3
InChIKeyOLGFTBJBIZHXKA-UHFFFAOYSA-N
MW301.22 g/mol
LogP3.68
Rot. Bonds8

About 1-[2-(bromomethyl)-5-methoxypentyl]-3-methoxybenzene

1-[2-(bromomethyl)-5-methoxypentyl]-3-methoxybenzene (PubChem CID 66041333) has the molecular formula C14H21BrO2 and a molecular weight of 301.22 g/mol. Its IUPAC name is 1-[2-(bromomethyl)-5-methoxypentyl]-3-methoxybenzene.

Molecular Properties

Compound Name1-[2-(bromomethyl)-5-methoxypentyl]-3-methoxybenzene
PubChem CID66041333
Molecular FormulaC14H21BrO2
Molecular Weight301.22 g/mol
Exact Mass300.07
IUPAC Name1-[2-(bromomethyl)-5-methoxypentyl]-3-methoxybenzene
SMILESCOCCCC(CBr)Cc1cccc(OC)c1
InChIInChI=1S/C14H21BrO2/c1-16-8-4-6-13(11-15)9-12-5-3-7-14(10-12)17-2/h3,5,7,10,13H,4,6,8-9,11H2,1-2H3
InChIKeyOLGFTBJBIZHXKA-UHFFFAOYSA-N
XLogP3.68
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.22
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(bromomethyl)-5-methoxypentyl]-3-chlorobenzene
CID 66040719
5-methoxy-2-[(3-methoxyphenyl)methyl]-N-(2-methylpropyl)pentan-1-amine
CID 62514571
1-[2-(bromomethyl)-5,5-dimethylhexyl]-3-methoxybenzene
CID 66041331
1-[2-(bromomethyl)-6-methoxyhexyl]-4-methoxybenzene
CID 104650707
[2-(bromomethyl)-6-methoxyhexyl]benzene
CID 104650695
1-[2-(chloromethyl)-4-methoxybutyl]-3-methoxybenzene
CID 66050110
1-[2-(bromomethyl)-4-tert-butylsulfonylbutyl]-3-methoxybenzene
CID 106734632
1-[2-(bromomethyl)-4-methylhexyl]-3-methoxybenzene
CID 66043341
1-[2-(bromomethyl)-5-methoxypentyl]-4-fluorobenzene
CID 66042083
1-[2-(chloromethyl)-3-methoxypropyl]-3-methoxybenzene
CID 103985127
5-(2-methoxyethoxy)-1-(3-methoxyphenyl)pentan-2-amine
CID 103414989
5-[3-(bromomethyl)-4-(3-methoxyphenyl)butyl]-4-methyl-1,3-thiazole
CID 66041537

Frequently Asked Questions

What is the IUPAC name of 1-[2-(bromomethyl)-5-methoxypentyl]-3-methoxybenzene?
The IUPAC name of 1-[2-(bromomethyl)-5-methoxypentyl]-3-methoxybenzene (CID 66041333) is 1-[2-(bromomethyl)-5-methoxypentyl]-3-methoxybenzene.
What is the SMILES notation for 1-[2-(bromomethyl)-5-methoxypentyl]-3-methoxybenzene?
The canonical SMILES for 1-[2-(bromomethyl)-5-methoxypentyl]-3-methoxybenzene is COCCCC(CBr)Cc1cccc(OC)c1.
What is the InChIKey of 1-[2-(bromomethyl)-5-methoxypentyl]-3-methoxybenzene?
The InChIKey is OLGFTBJBIZHXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrO2/c1-16-8-4-6-13(11-15)9-12-5-3-7-14(10-12)17-2/h3,5,7,10,13H,4,6,8-9,11H2,1-2H3.
What are the key properties of 1-[2-(bromomethyl)-5-methoxypentyl]-3-methoxybenzene?
1-[2-(bromomethyl)-5-methoxypentyl]-3-methoxybenzene has a molecular weight of 301.22 g/mol, XLogP of 3.68, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(bromomethyl)-5-methoxypentyl]-3-methoxybenzene is sourced from PubChem (CID 66041333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).