1-bromo-2-chloro-3-propoxybenzene

C9H10BrClO — CID 126752460

IUPAC1-bromo-2-chloro-3-propoxybenzene
SMILESCCCOc1cccc(Br)c1Cl
InChIInChI=1S/C9H10BrClO/c1-2-6-12-8-5-3-4-7(10)9(8)11/h3-5H,2,6H2,1H3
InChIKeyMZPXRJUEYPBUMU-UHFFFAOYSA-N
MW249.53 g/mol
LogP3.89
Rot. Bonds3

About 1-bromo-2-chloro-3-propoxybenzene

1-bromo-2-chloro-3-propoxybenzene (PubChem CID 126752460) has the molecular formula C9H10BrClO and a molecular weight of 249.53 g/mol. Its IUPAC name is 1-bromo-2-chloro-3-propoxybenzene.

Molecular Properties

Compound Name1-bromo-2-chloro-3-propoxybenzene
PubChem CID126752460
Molecular FormulaC9H10BrClO
Molecular Weight249.53 g/mol
Exact Mass247.96
IUPAC Name1-bromo-2-chloro-3-propoxybenzene
SMILESCCCOc1cccc(Br)c1Cl
InChIInChI=1S/C9H10BrClO/c1-2-6-12-8-5-3-4-7(10)9(8)11/h3-5H,2,6H2,1H3
InChIKeyMZPXRJUEYPBUMU-UHFFFAOYSA-N
XLogP3.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.53
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-bromo-2,3-dipropoxybenzene
CID 91157628
2-chloro-1-methyl-3-propoxybenzene
CID 118269413
1-bromo-2-chloro-3-(2,2-difluoropropoxy)benzene
CID 156587175
1-bromo-2-chloro-3-(2,2,2-trifluoroethoxy)benzene
CID 156587176
(3-bromo-2-chlorophenyl)-(3-bromo-4-propoxyphenyl)methanol
CID 104661288
(3-bromo-2-chlorophenyl)-(3-bromo-4-propoxyphenyl)methanone
CID 104657103
1-bromo-3-butoxy-2-methylbenzene
CID 148580780
1-chloro-2-fluoro-3-propoxybenzene
CID 125116301
2-methyl-3-propoxyaniline
CID 23134606
1-(chloromethoxy)-2-propoxybenzene
CID 79530194
1-bromo-3-methyl-2-propoxybenzene
CID 58352154
(2-bromo-3-propoxyphenyl)methanol
CID 118270127

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-chloro-3-propoxybenzene?
The IUPAC name of 1-bromo-2-chloro-3-propoxybenzene (CID 126752460) is 1-bromo-2-chloro-3-propoxybenzene.
What is the SMILES notation for 1-bromo-2-chloro-3-propoxybenzene?
The canonical SMILES for 1-bromo-2-chloro-3-propoxybenzene is CCCOc1cccc(Br)c1Cl.
What is the InChIKey of 1-bromo-2-chloro-3-propoxybenzene?
The InChIKey is MZPXRJUEYPBUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrClO/c1-2-6-12-8-5-3-4-7(10)9(8)11/h3-5H,2,6H2,1H3.
What are the key properties of 1-bromo-2-chloro-3-propoxybenzene?
1-bromo-2-chloro-3-propoxybenzene has a molecular weight of 249.53 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-chloro-3-propoxybenzene is sourced from PubChem (CID 126752460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).