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

C10H12BrClO — CID 82091358

IUPAC2-(1-bromopropan-2-yl)-4-chloro-1-methoxybenzene
SMILESCOc1ccc(Cl)cc1C(C)CBr
InChIInChI=1S/C10H12BrClO/c1-7(6-11)9-5-8(12)3-4-10(9)13-2/h3-5,7H,6H2,1-2H3
InChIKeyOGDVSPOJXFZUEF-UHFFFAOYSA-N
MW263.56 g/mol
LogP3.85
Rot. Bonds3

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

2-(1-bromopropan-2-yl)-4-chloro-1-methoxybenzene (PubChem CID 82091358) has the molecular formula C10H12BrClO and a molecular weight of 263.56 g/mol. Its IUPAC name is 2-(1-bromopropan-2-yl)-4-chloro-1-methoxybenzene.

Molecular Properties

Compound Name2-(1-bromopropan-2-yl)-4-chloro-1-methoxybenzene
PubChem CID82091358
Molecular FormulaC10H12BrClO
Molecular Weight263.56 g/mol
Exact Mass261.98
IUPAC Name2-(1-bromopropan-2-yl)-4-chloro-1-methoxybenzene
SMILESCOc1ccc(Cl)cc1C(C)CBr
InChIInChI=1S/C10H12BrClO/c1-7(6-11)9-5-8(12)3-4-10(9)13-2/h3-5,7H,6H2,1-2H3
InChIKeyOGDVSPOJXFZUEF-UHFFFAOYSA-N
XLogP3.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.56
LogP ≤ 53.85
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-(4-bromobutan-2-yl)-4-chloro-1-methoxybenzene
CID 82093766
2-(4-bromo-3-methylbutan-2-yl)-4-chloro-1-methoxybenzene
CID 83933115
3-(5-chloro-2-methoxyphenyl)butanal
CID 83835315
3-(5-chloro-2-methoxyphenyl)butanethioamide
CID 83933149
3-(5-chloro-2-methoxyphenyl)-N-ethylbutan-1-amine
CID 81019509
(1S)-1-(5-chloro-2-methoxyphenyl)ethanamine;hydrochloride
CID 171234656
2-(1-bromobutyl)-4-chloro-1-methoxybenzene
CID 104546547
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
2-(5-chloro-2-methoxyphenyl)propane-1,3-diol
CID 82113852
2-chloro-1-(5-chloro-2-methoxyphenyl)ethanamine
CID 116937510
2-[bromo-(3-chloro-4-methoxyphenyl)methyl]-4-chloro-1-methoxybenzene
CID 63439018

Frequently Asked Questions

What is the IUPAC name of 2-(1-bromopropan-2-yl)-4-chloro-1-methoxybenzene?
The IUPAC name of 2-(1-bromopropan-2-yl)-4-chloro-1-methoxybenzene (CID 82091358) is 2-(1-bromopropan-2-yl)-4-chloro-1-methoxybenzene.
What is the SMILES notation for 2-(1-bromopropan-2-yl)-4-chloro-1-methoxybenzene?
The canonical SMILES for 2-(1-bromopropan-2-yl)-4-chloro-1-methoxybenzene is COc1ccc(Cl)cc1C(C)CBr.
What is the InChIKey of 2-(1-bromopropan-2-yl)-4-chloro-1-methoxybenzene?
The InChIKey is OGDVSPOJXFZUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrClO/c1-7(6-11)9-5-8(12)3-4-10(9)13-2/h3-5,7H,6H2,1-2H3.
What are the key properties of 2-(1-bromopropan-2-yl)-4-chloro-1-methoxybenzene?
2-(1-bromopropan-2-yl)-4-chloro-1-methoxybenzene has a molecular weight of 263.56 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromopropan-2-yl)-4-chloro-1-methoxybenzene is sourced from PubChem (CID 82091358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).