5-bromo-3-phenylpentan-1-ol

C11H15BrO — CID 66988261

IUPAC5-bromo-3-phenylpentan-1-ol
SMILESOCCC(CCBr)c1ccccc1
InChIInChI=1S/C11H15BrO/c12-8-6-11(7-9-13)10-4-2-1-3-5-10/h1-5,11,13H,6-9H2
InChIKeyDFHNLKLRRYJOAX-UHFFFAOYSA-N
MW243.14 g/mol
LogP2.94
Rot. Bonds5

About 5-bromo-3-phenylpentan-1-ol

5-bromo-3-phenylpentan-1-ol (PubChem CID 66988261) has the molecular formula C11H15BrO and a molecular weight of 243.14 g/mol. Its IUPAC name is 5-bromo-3-phenylpentan-1-ol.

Molecular Properties

Compound Name5-bromo-3-phenylpentan-1-ol
PubChem CID66988261
Molecular FormulaC11H15BrO
Molecular Weight243.14 g/mol
Exact Mass242.03
IUPAC Name5-bromo-3-phenylpentan-1-ol
SMILESOCCC(CCBr)c1ccccc1
InChIInChI=1S/C11H15BrO/c12-8-6-11(7-9-13)10-4-2-1-3-5-10/h1-5,11,13H,6-9H2
InChIKeyDFHNLKLRRYJOAX-UHFFFAOYSA-N
XLogP2.94
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 ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,6-diphenylhexan-1-ol
CID 54360227
(5-bromo-1,1,1-trifluoropentan-3-yl)benzene
CID 54284721
3-phenylundecan-1-ol
CID 101150144
(3R)-3-phenylhex-5-en-1-ol
CID 10419714
(3R)-5-(ethylamino)-3-phenylpentan-1-ol
CID 99992328
(E,4S)-4-phenylhex-1-ene-1,6-diol
CID 134423361
(2S,5S)-2,5-diphenylhexane-1,6-diol
CID 102169365
N-[(3S)-5-hydroxy-3-phenylpentyl]cyclopropanecarboxamide
CID 99872804
1-phenylpropane-1,3-diol
CID 572059
5-(4-methoxyphenyl)-3-phenylpentan-1-ol
CID 71490427
N-(5-hydroxy-3-phenylpentyl)ethanesulfonamide
CID 121112259
(E)-7-methyl-3-phenyloct-5-en-1-ol
CID 102328934

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-phenylpentan-1-ol?
The IUPAC name of 5-bromo-3-phenylpentan-1-ol (CID 66988261) is 5-bromo-3-phenylpentan-1-ol.
What is the SMILES notation for 5-bromo-3-phenylpentan-1-ol?
The canonical SMILES for 5-bromo-3-phenylpentan-1-ol is OCCC(CCBr)c1ccccc1.
What is the InChIKey of 5-bromo-3-phenylpentan-1-ol?
The InChIKey is DFHNLKLRRYJOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrO/c12-8-6-11(7-9-13)10-4-2-1-3-5-10/h1-5,11,13H,6-9H2.
What are the key properties of 5-bromo-3-phenylpentan-1-ol?
5-bromo-3-phenylpentan-1-ol has a molecular weight of 243.14 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-phenylpentan-1-ol is sourced from PubChem (CID 66988261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).