2-(1-bromobutyl)-4-chloro-1-methoxybenzene

C11H14BrClO — CID 104546547

IUPAC2-(1-bromobutyl)-4-chloro-1-methoxybenzene
SMILESCCCC(Br)c1cc(Cl)ccc1OC
InChIInChI=1S/C11H14BrClO/c1-3-4-10(12)9-7-8(13)5-6-11(9)14-2/h5-7,10H,3-4H2,1-2H3
InChIKeyFBDZHHCDCOFNDR-UHFFFAOYSA-N
MW277.59 g/mol
LogP4.58
Rot. Bonds4

About 2-(1-bromobutyl)-4-chloro-1-methoxybenzene

2-(1-bromobutyl)-4-chloro-1-methoxybenzene (PubChem CID 104546547) has the molecular formula C11H14BrClO and a molecular weight of 277.59 g/mol. Its IUPAC name is 2-(1-bromobutyl)-4-chloro-1-methoxybenzene.

Molecular Properties

Compound Name2-(1-bromobutyl)-4-chloro-1-methoxybenzene
PubChem CID104546547
Molecular FormulaC11H14BrClO
Molecular Weight277.59 g/mol
Exact Mass275.99
IUPAC Name2-(1-bromobutyl)-4-chloro-1-methoxybenzene
SMILESCCCC(Br)c1cc(Cl)ccc1OC
InChIInChI=1S/C11H14BrClO/c1-3-4-10(12)9-7-8(13)5-6-11(9)14-2/h5-7,10H,3-4H2,1-2H3
InChIKeyFBDZHHCDCOFNDR-UHFFFAOYSA-N
XLogP4.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.59
LogP ≤ 54.58
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

2-(1-bromononyl)-4-chloro-1-methoxybenzene
CID 104546445
1-(5-chloro-2-methoxyphenyl)-2-propylpentan-1-amine
CID 104545774
4-chloro-2-(1-chloro-2-methylpentyl)-1-methoxybenzene
CID 104546269
2-(5-chloro-2-methoxyphenyl)-N,3-dimethylhexan-1-amine
CID 114012916
2-[1-bromo-3-(2,2,2-trifluoroethoxy)propyl]-4-chloro-1-methoxybenzene
CID 103211396
1-(5-chloro-2-methoxyphenyl)-3-methylhexan-1-amine
CID 115845367
2-(4-bromobutan-2-yl)-4-chloro-1-methoxybenzene
CID 82093766
1-(5-chloro-2-methoxyphenyl)-N-ethyl-2-methylpentan-1-amine
CID 104545976
2-(5-chloro-2-methoxyphenyl)-3-methylhexanenitrile
CID 107886167
2-(1-bromopropan-2-yl)-4-chloro-1-methoxybenzene
CID 82091358
[1-(5-chloro-2-methoxyphenyl)-2-methoxypentyl]hydrazine
CID 105271901
(1R)-1-(5-chloro-2-methoxyphenyl)propan-1-amine;hydrochloride
CID 171215023

Frequently Asked Questions

What is the IUPAC name of 2-(1-bromobutyl)-4-chloro-1-methoxybenzene?
The IUPAC name of 2-(1-bromobutyl)-4-chloro-1-methoxybenzene (CID 104546547) is 2-(1-bromobutyl)-4-chloro-1-methoxybenzene.
What is the SMILES notation for 2-(1-bromobutyl)-4-chloro-1-methoxybenzene?
The canonical SMILES for 2-(1-bromobutyl)-4-chloro-1-methoxybenzene is CCCC(Br)c1cc(Cl)ccc1OC.
What is the InChIKey of 2-(1-bromobutyl)-4-chloro-1-methoxybenzene?
The InChIKey is FBDZHHCDCOFNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClO/c1-3-4-10(12)9-7-8(13)5-6-11(9)14-2/h5-7,10H,3-4H2,1-2H3.
What are the key properties of 2-(1-bromobutyl)-4-chloro-1-methoxybenzene?
2-(1-bromobutyl)-4-chloro-1-methoxybenzene has a molecular weight of 277.59 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromobutyl)-4-chloro-1-methoxybenzene is sourced from PubChem (CID 104546547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).