2-(3-bromopropyl)-5-chlorophenol

C9H10BrClO — CID 118836469

IUPAC2-(3-bromopropyl)-5-chlorophenol
SMILESOc1cc(Cl)ccc1CCCBr
InChIInChI=1S/C9H10BrClO/c10-5-1-2-7-3-4-8(11)6-9(7)12/h3-4,6,12H,1-2,5H2
InChIKeySPYKLDUFGBAZHK-UHFFFAOYSA-N
MW249.53 g/mol
LogP3.37
Rot. Bonds3

About 2-(3-bromopropyl)-5-chlorophenol

2-(3-bromopropyl)-5-chlorophenol (PubChem CID 118836469) has the molecular formula C9H10BrClO and a molecular weight of 249.53 g/mol. Its IUPAC name is 2-(3-bromopropyl)-5-chlorophenol.

Molecular Properties

Compound Name2-(3-bromopropyl)-5-chlorophenol
PubChem CID118836469
Molecular FormulaC9H10BrClO
Molecular Weight249.53 g/mol
Exact Mass247.96
IUPAC Name2-(3-bromopropyl)-5-chlorophenol
SMILESOc1cc(Cl)ccc1CCCBr
InChIInChI=1S/C9H10BrClO/c10-5-1-2-7-3-4-8(11)6-9(7)12/h3-4,6,12H,1-2,5H2
InChIKeySPYKLDUFGBAZHK-UHFFFAOYSA-N
XLogP3.37
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.53
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(3-bromopropyl)-5-(chloromethyl)phenol
CID 131308340
5-chloro-2-dodecylphenol
CID 102279992
1-(3-bromopropyl)-4-chloro-2-(chloromethyl)benzene
CID 118830925
1,5-bis(4-chloro-2-hydroxyphenyl)pentan-3-one
CID 174781443
1-(3-bromopropyl)-4-chloro-2-nitrobenzene
CID 118835847
3-(3-bromopropyl)-4-(chloromethyl)phenol
CID 131307247
2-(3-bromopropyl)-4-chloro-1-(fluoromethoxy)benzene
CID 118807576
2-(bromomethyl)-4-chlorophenol
CID 67740326
3-(4-chloro-2-fluorophenyl)propan-1-ol
CID 53425229
3-(3-bromopropyl)-2-fluorophenol
CID 131093499
1-(6-bromohexyl)-4-chloro-2-nitrobenzene
CID 10734509
1-(3-bromopropyl)-2-chloro-4-iodobenzene
CID 118830135

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromopropyl)-5-chlorophenol?
The IUPAC name of 2-(3-bromopropyl)-5-chlorophenol (CID 118836469) is 2-(3-bromopropyl)-5-chlorophenol.
What is the SMILES notation for 2-(3-bromopropyl)-5-chlorophenol?
The canonical SMILES for 2-(3-bromopropyl)-5-chlorophenol is Oc1cc(Cl)ccc1CCCBr.
What is the InChIKey of 2-(3-bromopropyl)-5-chlorophenol?
The InChIKey is SPYKLDUFGBAZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrClO/c10-5-1-2-7-3-4-8(11)6-9(7)12/h3-4,6,12H,1-2,5H2.
What are the key properties of 2-(3-bromopropyl)-5-chlorophenol?
2-(3-bromopropyl)-5-chlorophenol has a molecular weight of 249.53 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromopropyl)-5-chlorophenol is sourced from PubChem (CID 118836469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).