1-(2-bromohexyl)-4-methoxybenzene

C13H19BrO — CID 63543278

IUPAC1-(2-bromohexyl)-4-methoxybenzene
SMILESCCCCC(Br)Cc1ccc(OC)cc1
InChIInChI=1S/C13H19BrO/c1-3-4-5-12(14)10-11-6-8-13(15-2)9-7-11/h6-9,12H,3-5,10H2,1-2H3
InChIKeyKKUNVAODXXJMTN-UHFFFAOYSA-N
MW271.20 g/mol
LogP4.19
Rot. Bonds6

About 1-(2-bromohexyl)-4-methoxybenzene

1-(2-bromohexyl)-4-methoxybenzene (PubChem CID 63543278) has the molecular formula C13H19BrO and a molecular weight of 271.20 g/mol. Its IUPAC name is 1-(2-bromohexyl)-4-methoxybenzene.

Molecular Properties

Compound Name1-(2-bromohexyl)-4-methoxybenzene
PubChem CID63543278
Molecular FormulaC13H19BrO
Molecular Weight271.20 g/mol
Exact Mass270.06
IUPAC Name1-(2-bromohexyl)-4-methoxybenzene
SMILESCCCCC(Br)Cc1ccc(OC)cc1
InChIInChI=1S/C13H19BrO/c1-3-4-5-12(14)10-11-6-8-13(15-2)9-7-11/h6-9,12H,3-5,10H2,1-2H3
InChIKeyKKUNVAODXXJMTN-UHFFFAOYSA-N
XLogP4.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methoxyphenyl)hexan-2-ol
CID 62608607
1-bromo-4-[2-bromo-4-(4-methoxyphenyl)butyl]benzene
CID 63542238
2-[(4-methoxyphenyl)methyl]hexanenitrile
CID 132506369
1-(4-methoxyphenyl)-N-methyldecan-2-amine
CID 63416962
N-[1-(4-methoxyphenyl)propan-2-yl]hexan-2-amine
CID 62198537
1-(4-methoxyphenyl)heptan-2-amine
CID 61079044
2-[(4-methoxyphenyl)methyl]-N-methylhexan-1-amine
CID 55083396
1-[2-(bromomethyl)undecyl]-4-methoxybenzene
CID 66041899
1-(2-bromodecyl)-4-methylbenzene
CID 65427581
1-(4-methoxyphenyl)nonan-2-ol
CID 62608606
1-(2-chlorooctyl)-4-methoxybenzene
CID 114753869
N-[1-(4-methoxyphenyl)propan-2-yl]octan-4-amine
CID 106023214

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromohexyl)-4-methoxybenzene?
The IUPAC name of 1-(2-bromohexyl)-4-methoxybenzene (CID 63543278) is 1-(2-bromohexyl)-4-methoxybenzene.
What is the SMILES notation for 1-(2-bromohexyl)-4-methoxybenzene?
The canonical SMILES for 1-(2-bromohexyl)-4-methoxybenzene is CCCCC(Br)Cc1ccc(OC)cc1.
What is the InChIKey of 1-(2-bromohexyl)-4-methoxybenzene?
The InChIKey is KKUNVAODXXJMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrO/c1-3-4-5-12(14)10-11-6-8-13(15-2)9-7-11/h6-9,12H,3-5,10H2,1-2H3.
What are the key properties of 1-(2-bromohexyl)-4-methoxybenzene?
1-(2-bromohexyl)-4-methoxybenzene has a molecular weight of 271.20 g/mol, XLogP of 4.19, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromohexyl)-4-methoxybenzene is sourced from PubChem (CID 63543278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).