2-(4-bromophenyl)propan-1-ol

C9H11BrO — CID 569062

IUPAC2-(4-bromophenyl)propan-1-ol
SMILESCC(CO)c1ccc(Br)cc1
InChIInChI=1S/C9H11BrO/c1-7(6-11)8-2-4-9(10)5-3-8/h2-5,7,11H,6H2,1H3
InChIKeyRXLUPCQYFPVVKS-UHFFFAOYSA-N
MW215.09 g/mol
LogP2.54
Rot. Bonds2

About 2-(4-bromophenyl)propan-1-ol

2-(4-bromophenyl)propan-1-ol (PubChem CID 569062) has the molecular formula C9H11BrO and a molecular weight of 215.09 g/mol. Its IUPAC name is 2-(4-bromophenyl)propan-1-ol.

Molecular Properties

Compound Name2-(4-bromophenyl)propan-1-ol
PubChem CID569062
Molecular FormulaC9H11BrO
Molecular Weight215.09 g/mol
Exact Mass214.00
IUPAC Name2-(4-bromophenyl)propan-1-ol
SMILESCC(CO)c1ccc(Br)cc1
InChIInChI=1S/C9H11BrO/c1-7(6-11)8-2-4-9(10)5-3-8/h2-5,7,11H,6H2,1H3
InChIKeyRXLUPCQYFPVVKS-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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Related Compounds

2-Phenyl-1-propanol
CID 14295
4-Bromobenzyl alcohol
CID 70119
p-Bromobenzhydryl alcohol
CID 98221
2-(4-Bromophenyl)ethanol
CID 72851
1-(4-Bromophenyl)ethanol
CID 95352
2-Phenylbutane-1-ol
CID 95542
(4-Bromophenyl)(cyclopropyl)methanol
CID 123566
(+)-2-Phenyl-1-propanol
CID 177050
3-(2-Bromophenyl)propan-1-ol
CID 10512846
1-(4-Bromophenyl)-2-methylpropan-2-ol
CID 316785
4-Bromo-alpha-propylbenzenemethanol
CID 90739
4-Bromo-alpha-ethylbenzenemethanol
CID 107290

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)propan-1-ol?
The IUPAC name of 2-(4-bromophenyl)propan-1-ol (CID 569062) is 2-(4-bromophenyl)propan-1-ol.
What is the SMILES notation for 2-(4-bromophenyl)propan-1-ol?
The canonical SMILES for 2-(4-bromophenyl)propan-1-ol is CC(CO)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)propan-1-ol?
The InChIKey is RXLUPCQYFPVVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrO/c1-7(6-11)8-2-4-9(10)5-3-8/h2-5,7,11H,6H2,1H3.
What are the key properties of 2-(4-bromophenyl)propan-1-ol?
2-(4-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-(4-bromophenyl)propan-1-ol is sourced from PubChem (CID 569062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).