5-phenylundecan-5-ol

C17H28O — CID 175525363

IUPAC5-phenylundecan-5-ol
SMILESCCCCCCC(O)(CCCC)c1ccccc1
InChIInChI=1S/C17H28O/c1-3-5-7-11-15-17(18,14-6-4-2)16-12-9-8-10-13-16/h8-10,12-13,18H,3-7,11,14-15H2,1-2H3
InChIKeyJLRYWTTYWQNVTB-UHFFFAOYSA-N
MW248.41 g/mol
LogP5.03
Rot. Bonds9

About 5-phenylundecan-5-ol

5-phenylundecan-5-ol (PubChem CID 175525363) has the molecular formula C17H28O and a molecular weight of 248.41 g/mol. Its IUPAC name is 5-phenylundecan-5-ol.

Molecular Properties

Compound Name5-phenylundecan-5-ol
PubChem CID175525363
Molecular FormulaC17H28O
Molecular Weight248.41 g/mol
Exact Mass248.21
IUPAC Name5-phenylundecan-5-ol
SMILESCCCCCCC(O)(CCCC)c1ccccc1
InChIInChI=1S/C17H28O/c1-3-5-7-11-15-17(18,14-6-4-2)16-12-9-8-10-13-16/h8-10,12-13,18H,3-7,11,14-15H2,1-2H3
InChIKeyJLRYWTTYWQNVTB-UHFFFAOYSA-N
XLogP5.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.41
LogP ≤ 55.03
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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Related Compounds

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1-methoxy-2-phenylheptan-2-ol
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5-butylhexadecan-5-ylbenzene
CID 173084700
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CID 11253019
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CID 141310981
4-(2-hydroxy-1-phenylundecan-2-yl)phenol
CID 175286085
1,1-diphenyldodecan-1-amine
CID 19925745
(1-hydroxy-1-phenyltridecyl)-trimethylazanium iodide
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1,1-difluoroheptylbenzene
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Frequently Asked Questions

What is the IUPAC name of 5-phenylundecan-5-ol?
The IUPAC name of 5-phenylundecan-5-ol (CID 175525363) is 5-phenylundecan-5-ol.
What is the SMILES notation for 5-phenylundecan-5-ol?
The canonical SMILES for 5-phenylundecan-5-ol is CCCCCCC(O)(CCCC)c1ccccc1.
What is the InChIKey of 5-phenylundecan-5-ol?
The InChIKey is JLRYWTTYWQNVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O/c1-3-5-7-11-15-17(18,14-6-4-2)16-12-9-8-10-13-16/h8-10,12-13,18H,3-7,11,14-15H2,1-2H3.
What are the key properties of 5-phenylundecan-5-ol?
5-phenylundecan-5-ol has a molecular weight of 248.41 g/mol, XLogP of 5.03, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylundecan-5-ol is sourced from PubChem (CID 175525363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).