5-bromo-2-methoxy-1,3-dimethylbenzene;hydrochloride

C9H12BrClO — CID 175135355

IUPAC5-bromo-2-methoxy-1,3-dimethylbenzene;hydrochloride
SMILESCOc1c(C)cc(Br)cc1C.Cl
InChIInChI=1S/C9H11BrO.ClH/c1-6-4-8(10)5-7(2)9(6)11-3;/h4-5H,1-3H3;1H
InChIKeyFAOFJLIQLVWOCS-UHFFFAOYSA-N
MW251.55 g/mol
LogP3.50
Rot. Bonds1

About 5-bromo-2-methoxy-1,3-dimethylbenzene;hydrochloride

5-bromo-2-methoxy-1,3-dimethylbenzene;hydrochloride (PubChem CID 175135355) has the molecular formula C9H12BrClO and a molecular weight of 251.55 g/mol. Its IUPAC name is 5-bromo-2-methoxy-1,3-dimethylbenzene;hydrochloride.

Molecular Properties

Compound Name5-bromo-2-methoxy-1,3-dimethylbenzene;hydrochloride
PubChem CID175135355
Molecular FormulaC9H12BrClO
Molecular Weight251.55 g/mol
Exact Mass249.98
IUPAC Name5-bromo-2-methoxy-1,3-dimethylbenzene;hydrochloride
SMILESCOc1c(C)cc(Br)cc1C.Cl
InChIInChI=1S/C9H11BrO.ClH/c1-6-4-8(10)5-7(2)9(6)11-3;/h4-5H,1-3H3;1H
InChIKeyFAOFJLIQLVWOCS-UHFFFAOYSA-N
XLogP3.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.55
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(5-bromo-2-methoxy-3-methylphenyl)methanol
CID 58993702
ethane;2-methoxy-1,3,5-trimethylbenzene
CID 142174927
4-methoxy-3,5-dimethylphenol
CID 643378
CID 89073638
CID 89073638
5-bromo-2-[4-(4-bromo-2,6-dimethylphenoxy)butoxy]-1,3-dimethylbenzene
CID 58759064
(E)-3-(5-bromo-2-methoxy-3-methylphenyl)prop-2-enoic acid
CID 112621467
1-(5-bromo-2-methoxy-3-methylphenyl)cyclohexan-1-amine
CID 117480330
(3-amino-5-bromophenyl)-(4-methoxy-3,5-dimethylphenyl)methanone
CID 83068594
(4-bromo-2,6-difluorophenyl)-(4-methoxy-3,5-dimethylphenyl)methanamine
CID 83044020
5-bromo-1,3-difluoro-2-methoxybenzene
CID 2773287
(4-bromophenyl)-(4-methoxy-3,5-dimethylphenyl)methanone
CID 2756951
(4-bromo-2,6-dimethylphenyl) methanesulfonate
CID 88867193

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methoxy-1,3-dimethylbenzene;hydrochloride?
The IUPAC name of 5-bromo-2-methoxy-1,3-dimethylbenzene;hydrochloride (CID 175135355) is 5-bromo-2-methoxy-1,3-dimethylbenzene;hydrochloride.
What is the SMILES notation for 5-bromo-2-methoxy-1,3-dimethylbenzene;hydrochloride?
The canonical SMILES for 5-bromo-2-methoxy-1,3-dimethylbenzene;hydrochloride is COc1c(C)cc(Br)cc1C.Cl.
What is the InChIKey of 5-bromo-2-methoxy-1,3-dimethylbenzene;hydrochloride?
The InChIKey is FAOFJLIQLVWOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrO.ClH/c1-6-4-8(10)5-7(2)9(6)11-3;/h4-5H,1-3H3;1H.
What are the key properties of 5-bromo-2-methoxy-1,3-dimethylbenzene;hydrochloride?
5-bromo-2-methoxy-1,3-dimethylbenzene;hydrochloride has a molecular weight of 251.55 g/mol, XLogP of 3.50, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methoxy-1,3-dimethylbenzene;hydrochloride is sourced from PubChem (CID 175135355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).