5-(3-bromophenyl)pentan-1-ol

C11H15BrO — CID 57435887

IUPAC5-(3-bromophenyl)pentan-1-ol
SMILESOCCCCCc1cccc(Br)c1
InChIInChI=1S/C11H15BrO/c12-11-7-4-6-10(9-11)5-2-1-3-8-13/h4,6-7,9,13H,1-3,5,8H2
InChIKeyLTUDVEJNTKPQGN-UHFFFAOYSA-N
MW243.14 g/mol
LogP3.15
Rot. Bonds5

About 5-(3-bromophenyl)pentan-1-ol

5-(3-bromophenyl)pentan-1-ol (PubChem CID 57435887) has the molecular formula C11H15BrO and a molecular weight of 243.14 g/mol. Its IUPAC name is 5-(3-bromophenyl)pentan-1-ol.

Molecular Properties

Compound Name5-(3-bromophenyl)pentan-1-ol
PubChem CID57435887
Molecular FormulaC11H15BrO
Molecular Weight243.14 g/mol
Exact Mass242.03
IUPAC Name5-(3-bromophenyl)pentan-1-ol
SMILESOCCCCCc1cccc(Br)c1
InChIInChI=1S/C11H15BrO/c12-11-7-4-6-10(9-11)5-2-1-3-8-13/h4,6-7,9,13H,1-3,5,8H2
InChIKeyLTUDVEJNTKPQGN-UHFFFAOYSA-N
XLogP3.15
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.14
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(3-bromophenyl)pentan-1-ol?
The IUPAC name of 5-(3-bromophenyl)pentan-1-ol (CID 57435887) is 5-(3-bromophenyl)pentan-1-ol.
What is the SMILES notation for 5-(3-bromophenyl)pentan-1-ol?
The canonical SMILES for 5-(3-bromophenyl)pentan-1-ol is OCCCCCc1cccc(Br)c1.
What is the InChIKey of 5-(3-bromophenyl)pentan-1-ol?
The InChIKey is LTUDVEJNTKPQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrO/c12-11-7-4-6-10(9-11)5-2-1-3-8-13/h4,6-7,9,13H,1-3,5,8H2.
What are the key properties of 5-(3-bromophenyl)pentan-1-ol?
5-(3-bromophenyl)pentan-1-ol has a molecular weight of 243.14 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromophenyl)pentan-1-ol is sourced from PubChem (CID 57435887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).