2-(3-bromophenyl)propan-1-ol

C9H11BrO — CID 12802909

IUPAC2-(3-bromophenyl)propan-1-ol
SMILESCC(CO)c1cccc(Br)c1
InChIInChI=1S/C9H11BrO/c1-7(6-11)8-3-2-4-9(10)5-8/h2-5,7,11H,6H2,1H3
InChIKeyCNKJJFVUWHGEHX-UHFFFAOYSA-N
MW215.09 g/mol
LogP2.54
Rot. Bonds2

About 2-(3-bromophenyl)propan-1-ol

2-(3-bromophenyl)propan-1-ol (PubChem CID 12802909) has the molecular formula C9H11BrO and a molecular weight of 215.09 g/mol. Its IUPAC name is 2-(3-bromophenyl)propan-1-ol.

Molecular Properties

Compound Name2-(3-bromophenyl)propan-1-ol
PubChem CID12802909
Molecular FormulaC9H11BrO
Molecular Weight215.09 g/mol
Exact Mass214.00
IUPAC Name2-(3-bromophenyl)propan-1-ol
SMILESCC(CO)c1cccc(Br)c1
InChIInChI=1S/C9H11BrO/c1-7(6-11)8-3-2-4-9(10)5-8/h2-5,7,11H,6H2,1H3
InChIKeyCNKJJFVUWHGEHX-UHFFFAOYSA-N
XLogP2.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.09
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)propan-1-ol?
The IUPAC name of 2-(3-bromophenyl)propan-1-ol (CID 12802909) is 2-(3-bromophenyl)propan-1-ol.
What is the SMILES notation for 2-(3-bromophenyl)propan-1-ol?
The canonical SMILES for 2-(3-bromophenyl)propan-1-ol is CC(CO)c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)propan-1-ol?
The InChIKey is CNKJJFVUWHGEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrO/c1-7(6-11)8-3-2-4-9(10)5-8/h2-5,7,11H,6H2,1H3.
What are the key properties of 2-(3-bromophenyl)propan-1-ol?
2-(3-bromophenyl)propan-1-ol has a molecular weight of 215.09 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)propan-1-ol is sourced from PubChem (CID 12802909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).