2-(4-bromobutan-2-yl)-4-chloro-1-methoxybenzene

C11H14BrClO — CID 82093766

IUPAC2-(4-bromobutan-2-yl)-4-chloro-1-methoxybenzene
SMILESCOc1ccc(Cl)cc1C(C)CCBr
InChIInChI=1S/C11H14BrClO/c1-8(5-6-12)10-7-9(13)3-4-11(10)14-2/h3-4,7-8H,5-6H2,1-2H3
InChIKeyRPAUAMNFDHMRQO-UHFFFAOYSA-N
MW277.59 g/mol
LogP4.24
Rot. Bonds4

About 2-(4-bromobutan-2-yl)-4-chloro-1-methoxybenzene

2-(4-bromobutan-2-yl)-4-chloro-1-methoxybenzene (PubChem CID 82093766) has the molecular formula C11H14BrClO and a molecular weight of 277.59 g/mol. Its IUPAC name is 2-(4-bromobutan-2-yl)-4-chloro-1-methoxybenzene.

Molecular Properties

Compound Name2-(4-bromobutan-2-yl)-4-chloro-1-methoxybenzene
PubChem CID82093766
Molecular FormulaC11H14BrClO
Molecular Weight277.59 g/mol
Exact Mass275.99
IUPAC Name2-(4-bromobutan-2-yl)-4-chloro-1-methoxybenzene
SMILESCOc1ccc(Cl)cc1C(C)CCBr
InChIInChI=1S/C11H14BrClO/c1-8(5-6-12)10-7-9(13)3-4-11(10)14-2/h3-4,7-8H,5-6H2,1-2H3
InChIKeyRPAUAMNFDHMRQO-UHFFFAOYSA-N
XLogP4.24
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 ≤ 54.24
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-bromopropan-2-yl)-4-chloro-1-methoxybenzene
CID 82091358
2-(4-bromobutan-2-yl)-4-chloro-1-ethoxybenzene
CID 83933223
3-(5-chloro-2-methoxyphenyl)-N-ethylbutan-1-amine
CID 81019509
2-(4-bromo-3-methylbutan-2-yl)-4-chloro-1-methoxybenzene
CID 83933115
3-(5-chloro-2-methoxyphenyl)butanal
CID 83835315
2-(1-bromobutyl)-4-chloro-1-methoxybenzene
CID 104546547
3-(5-chloro-2-methoxyphenyl)butanethioamide
CID 83933149
(1S)-1-(5-chloro-2-methoxyphenyl)ethanamine;hydrochloride
CID 171234656
2-bromo-1-(5-chloro-2-methoxyphenyl)propan-1-ol
CID 116863294
(1S,2R)-1-amino-1-(5-chloro-2-methoxyphenyl)propan-2-ol
CID 130749346
4-chloro-2-(1-chloro-2-methylpentyl)-1-methoxybenzene
CID 104546269
2-(5-chloro-2-methoxyphenyl)propane-1,3-diol
CID 82113852

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromobutan-2-yl)-4-chloro-1-methoxybenzene?
The IUPAC name of 2-(4-bromobutan-2-yl)-4-chloro-1-methoxybenzene (CID 82093766) is 2-(4-bromobutan-2-yl)-4-chloro-1-methoxybenzene.
What is the SMILES notation for 2-(4-bromobutan-2-yl)-4-chloro-1-methoxybenzene?
The canonical SMILES for 2-(4-bromobutan-2-yl)-4-chloro-1-methoxybenzene is COc1ccc(Cl)cc1C(C)CCBr.
What is the InChIKey of 2-(4-bromobutan-2-yl)-4-chloro-1-methoxybenzene?
The InChIKey is RPAUAMNFDHMRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClO/c1-8(5-6-12)10-7-9(13)3-4-11(10)14-2/h3-4,7-8H,5-6H2,1-2H3.
What are the key properties of 2-(4-bromobutan-2-yl)-4-chloro-1-methoxybenzene?
2-(4-bromobutan-2-yl)-4-chloro-1-methoxybenzene has a molecular weight of 277.59 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromobutan-2-yl)-4-chloro-1-methoxybenzene is sourced from PubChem (CID 82093766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).