5-bromo-1-phenylpentan-1-ol

C11H15BrO — CID 121216668

IUPAC5-bromo-1-phenylpentan-1-ol
SMILESOC(CCCCBr)c1ccccc1
InChIInChI=1S/C11H15BrO/c12-9-5-4-8-11(13)10-6-2-1-3-7-10/h1-3,6-7,11,13H,4-5,8-9H2
InChIKeySZBPHPCZYZDSEI-UHFFFAOYSA-N
MW243.14 g/mol
LogP3.29
Rot. Bonds5

About 5-bromo-1-phenylpentan-1-ol

5-bromo-1-phenylpentan-1-ol (PubChem CID 121216668) has the molecular formula C11H15BrO and a molecular weight of 243.14 g/mol. Its IUPAC name is 5-bromo-1-phenylpentan-1-ol.

Molecular Properties

Compound Name5-bromo-1-phenylpentan-1-ol
PubChem CID121216668
Molecular FormulaC11H15BrO
Molecular Weight243.14 g/mol
Exact Mass242.03
IUPAC Name5-bromo-1-phenylpentan-1-ol
SMILESOC(CCCCBr)c1ccccc1
InChIInChI=1S/C11H15BrO/c12-9-5-4-8-11(13)10-6-2-1-3-7-10/h1-3,6-7,11,13H,4-5,8-9H2
InChIKeySZBPHPCZYZDSEI-UHFFFAOYSA-N
XLogP3.29
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 ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-1-phenylpentan-1-ol
CID 14449235
1-phenyldecane-1,10-diol
CID 15255187
6-chloro-1-phenylhexan-1-ol
CID 10398289
(1R)-1-phenyloctan-1-ol
CID 12794259
(1S)-1-phenylpentan-1-ol
CID 6992754
1,4,4-triphenylbutan-1-ol
CID 141326006
1-phenylpropane-1,3-diol
CID 572059
(2S)-2-bromo-2-deuterio-1-phenylethanol
CID 71507175
5-methyl-1-phenylhexan-1-ol
CID 10997859
1-phenylpropane-1,3-diol;hydrobromide
CID 68975268
(1R,5S)-1-phenyldecane-1,5-diol
CID 10879541
methyl 8-hydroxy-8-phenyloctanoate
CID 139616789

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-phenylpentan-1-ol?
The IUPAC name of 5-bromo-1-phenylpentan-1-ol (CID 121216668) is 5-bromo-1-phenylpentan-1-ol.
What is the SMILES notation for 5-bromo-1-phenylpentan-1-ol?
The canonical SMILES for 5-bromo-1-phenylpentan-1-ol is OC(CCCCBr)c1ccccc1.
What is the InChIKey of 5-bromo-1-phenylpentan-1-ol?
The InChIKey is SZBPHPCZYZDSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrO/c12-9-5-4-8-11(13)10-6-2-1-3-7-10/h1-3,6-7,11,13H,4-5,8-9H2.
What are the key properties of 5-bromo-1-phenylpentan-1-ol?
5-bromo-1-phenylpentan-1-ol has a molecular weight of 243.14 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-phenylpentan-1-ol is sourced from PubChem (CID 121216668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).