3-bromo-2-(3-bromopropyl)phenol

C9H10Br2O — CID 131214203

IUPAC3-bromo-2-(3-bromopropyl)phenol
SMILESOc1cccc(Br)c1CCCBr
InChIInChI=1S/C9H10Br2O/c10-6-2-3-7-8(11)4-1-5-9(7)12/h1,4-5,12H,2-3,6H2
InChIKeyWDLAKPWOBZYHPC-UHFFFAOYSA-N
MW293.99 g/mol
LogP3.48
Rot. Bonds3

About 3-bromo-2-(3-bromopropyl)phenol

3-bromo-2-(3-bromopropyl)phenol (PubChem CID 131214203) has the molecular formula C9H10Br2O and a molecular weight of 293.99 g/mol. Its IUPAC name is 3-bromo-2-(3-bromopropyl)phenol.

Molecular Properties

Compound Name3-bromo-2-(3-bromopropyl)phenol
PubChem CID131214203
Molecular FormulaC9H10Br2O
Molecular Weight293.99 g/mol
Exact Mass291.91
IUPAC Name3-bromo-2-(3-bromopropyl)phenol
SMILESOc1cccc(Br)c1CCCBr
InChIInChI=1S/C9H10Br2O/c10-6-2-3-7-8(11)4-1-5-9(7)12/h1,4-5,12H,2-3,6H2
InChIKeyWDLAKPWOBZYHPC-UHFFFAOYSA-N
XLogP3.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.99
LogP ≤ 53.48
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

4-Bromo-2-methylphenol
CID 16896
3-Bromo-4-phenylphenol
CID 66691
2,2'-Methylenebis(4-bromophenol)
CID 3061033
4-(2-Bromoethyl)phenol
CID 84221
4-Bromo-2-ethylphenol
CID 87877
2-Allyl-4-bromophenol
CID 258468
3-Bromo-2-methylphenol
CID 11171430
3,5-Dibromo-4-methylphenol
CID 55457
2-Bromo-6-methylphenol
CID 11095329
5-Bromo-2-methylphenol
CID 12648404
4-Bromo-2,3-dimethylphenol
CID 13974656
4-(3-Bromopropyl)phenol
CID 14817036

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(3-bromopropyl)phenol?
The IUPAC name of 3-bromo-2-(3-bromopropyl)phenol (CID 131214203) is 3-bromo-2-(3-bromopropyl)phenol.
What is the SMILES notation for 3-bromo-2-(3-bromopropyl)phenol?
The canonical SMILES for 3-bromo-2-(3-bromopropyl)phenol is Oc1cccc(Br)c1CCCBr.
What is the InChIKey of 3-bromo-2-(3-bromopropyl)phenol?
The InChIKey is WDLAKPWOBZYHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Br2O/c10-6-2-3-7-8(11)4-1-5-9(7)12/h1,4-5,12H,2-3,6H2.
What are the key properties of 3-bromo-2-(3-bromopropyl)phenol?
3-bromo-2-(3-bromopropyl)phenol has a molecular weight of 293.99 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(3-bromopropyl)phenol is sourced from PubChem (CID 131214203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).