1-(1-bromopropoxy)-2-chlorobenzene

C9H10BrClO — CID 67903690

IUPAC1-(1-bromopropoxy)-2-chlorobenzene
SMILESCCC(Br)Oc1ccccc1Cl
InChIInChI=1S/C9H10BrClO/c1-2-9(10)12-8-6-4-3-5-7(8)11/h3-6,9H,2H2,1H3
InChIKeyMIPUNAYTHMRZTP-UHFFFAOYSA-N
MW249.53 g/mol
LogP3.85
Rot. Bonds3

About 1-(1-bromopropoxy)-2-chlorobenzene

1-(1-bromopropoxy)-2-chlorobenzene (PubChem CID 67903690) has the molecular formula C9H10BrClO and a molecular weight of 249.53 g/mol. Its IUPAC name is 1-(1-bromopropoxy)-2-chlorobenzene.

Molecular Properties

Compound Name1-(1-bromopropoxy)-2-chlorobenzene
PubChem CID67903690
Molecular FormulaC9H10BrClO
Molecular Weight249.53 g/mol
Exact Mass247.96
IUPAC Name1-(1-bromopropoxy)-2-chlorobenzene
SMILESCCC(Br)Oc1ccccc1Cl
InChIInChI=1S/C9H10BrClO/c1-2-9(10)12-8-6-4-3-5-7(8)11/h3-6,9H,2H2,1H3
InChIKeyMIPUNAYTHMRZTP-UHFFFAOYSA-N
XLogP3.85
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 ≤ 53.85
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

1-chloro-2-propan-2-yloxybenzene;ethane
CID 143368114
(2S)-2-(2-chlorophenoxy)butan-1-amine
CID 94266424
1-[2-(bromomethyl)butoxy]-2-chlorobenzene
CID 64995502
2-(2-chlorophenoxy)butanoyl chloride
CID 13239462
(2R)-2-(2-chlorophenoxy)butanoate
CID 7022542
(2S)-2-(2-chlorophenoxy)butanoate
CID 7268784
1-(2-chlorophenoxy)propylphosphonic acid
CID 67896081
1-(2-chlorophenoxy)ethanethiol
CID 147588927
3-(2-chlorophenoxy)pentanoic acid
CID 114990652
2-(2-chlorophenoxy)pentan-3-one
CID 64866523
3-(2-chlorophenoxy)butan-1-ol
CID 82076432
(2-chlorophenyl) (2R)-2-bromopropanoate
CID 91194587

Frequently Asked Questions

What is the IUPAC name of 1-(1-bromopropoxy)-2-chlorobenzene?
The IUPAC name of 1-(1-bromopropoxy)-2-chlorobenzene (CID 67903690) is 1-(1-bromopropoxy)-2-chlorobenzene.
What is the SMILES notation for 1-(1-bromopropoxy)-2-chlorobenzene?
The canonical SMILES for 1-(1-bromopropoxy)-2-chlorobenzene is CCC(Br)Oc1ccccc1Cl.
What is the InChIKey of 1-(1-bromopropoxy)-2-chlorobenzene?
The InChIKey is MIPUNAYTHMRZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrClO/c1-2-9(10)12-8-6-4-3-5-7(8)11/h3-6,9H,2H2,1H3.
What are the key properties of 1-(1-bromopropoxy)-2-chlorobenzene?
1-(1-bromopropoxy)-2-chlorobenzene has a molecular weight of 249.53 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 1-(1-bromopropoxy)-2-chlorobenzene is sourced from PubChem (CID 67903690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).