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

C9H11BrO — CID 13444279

IUPAC1-(2-bromophenyl)propan-1-ol
SMILESCCC(O)c1ccccc1Br
InChIInChI=1S/C9H11BrO/c1-2-9(11)7-5-3-4-6-8(7)10/h3-6,9,11H,2H2,1H3
InChIKeySMYHFDLFOKKDOO-UHFFFAOYSA-N
MW215.09 g/mol
LogP2.89
Rot. Bonds2

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

1-(2-bromophenyl)propan-1-ol (PubChem CID 13444279) has the molecular formula C9H11BrO and a molecular weight of 215.09 g/mol. Its IUPAC name is 1-(2-bromophenyl)propan-1-ol.

Molecular Properties

Compound Name1-(2-bromophenyl)propan-1-ol
PubChem CID13444279
Molecular FormulaC9H11BrO
Molecular Weight215.09 g/mol
Exact Mass214.00
IUPAC Name1-(2-bromophenyl)propan-1-ol
SMILESCCC(O)c1ccccc1Br
InChIInChI=1S/C9H11BrO/c1-2-9(11)7-5-3-4-6-8(7)10/h3-6,9,11H,2H2,1H3
InChIKeySMYHFDLFOKKDOO-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)propan-1-ol?
The IUPAC name of 1-(2-bromophenyl)propan-1-ol (CID 13444279) is 1-(2-bromophenyl)propan-1-ol.
What is the SMILES notation for 1-(2-bromophenyl)propan-1-ol?
The canonical SMILES for 1-(2-bromophenyl)propan-1-ol is CCC(O)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)propan-1-ol?
The InChIKey is SMYHFDLFOKKDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrO/c1-2-9(11)7-5-3-4-6-8(7)10/h3-6,9,11H,2H2,1H3.
What are the key properties of 1-(2-bromophenyl)propan-1-ol?
1-(2-bromophenyl)propan-1-ol has a molecular weight of 215.09 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)propan-1-ol is sourced from PubChem (CID 13444279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).