5-phenyl-9-propylpentadecan-1-ol

C24H42O — CID 154445403

IUPAC5-phenyl-9-propylpentadecan-1-ol
SMILESCCCCCCC(CCC)CCCC(CCCCO)c1ccccc1
InChIInChI=1S/C24H42O/c1-3-5-6-8-15-22(14-4-2)16-13-20-24(19-11-12-21-25)23-17-9-7-10-18-23/h7,9-10,17-18,22,24-25H,3-6,8,11-16,19-21H2,1-2H3
InChIKeyXKGJBSSZZZSPHC-UHFFFAOYSA-N
MW346.60 g/mol
LogP7.49
Rot. Bonds16

About 5-phenyl-9-propylpentadecan-1-ol

5-phenyl-9-propylpentadecan-1-ol (PubChem CID 154445403) has the molecular formula C24H42O and a molecular weight of 346.60 g/mol. Its IUPAC name is 5-phenyl-9-propylpentadecan-1-ol.

Molecular Properties

Compound Name5-phenyl-9-propylpentadecan-1-ol
PubChem CID154445403
Molecular FormulaC24H42O
Molecular Weight346.60 g/mol
Exact Mass346.32
IUPAC Name5-phenyl-9-propylpentadecan-1-ol
SMILESCCCCCCC(CCC)CCCC(CCCCO)c1ccccc1
InChIInChI=1S/C24H42O/c1-3-5-6-8-15-22(14-4-2)16-13-20-24(19-11-12-21-25)23-17-9-7-10-18-23/h7,9-10,17-18,22,24-25H,3-6,8,11-16,19-21H2,1-2H3
InChIKeyXKGJBSSZZZSPHC-UHFFFAOYSA-N
XLogP7.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.60
LogP ≤ 57.49
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

3-phenylundecan-1-ol
CID 101150144
icosan-10-ylbenzene
CID 54351357
hentriacontan-13-ylbenzene
CID 91306613
10-phenyltetradecan-5-ylbenzene
CID 22891787
5-decylheptadecan-1-ol
CID 171774120
11-octylicosan-1-ol
CID 162349984
11-phenyloctadecanoic acid
CID 101320092
4-phenyldodecanoic acid
CID 67722235
6-phenyloctadecanoic acid
CID 56981512
2-(2-phenylnonylamino)ethanol
CID 142077190
octan-3-ylbenzene
CID 519547
heptatriaconta-9,28-dien-19-ylbenzene
CID 173349242

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-9-propylpentadecan-1-ol?
The IUPAC name of 5-phenyl-9-propylpentadecan-1-ol (CID 154445403) is 5-phenyl-9-propylpentadecan-1-ol.
What is the SMILES notation for 5-phenyl-9-propylpentadecan-1-ol?
The canonical SMILES for 5-phenyl-9-propylpentadecan-1-ol is CCCCCCC(CCC)CCCC(CCCCO)c1ccccc1.
What is the InChIKey of 5-phenyl-9-propylpentadecan-1-ol?
The InChIKey is XKGJBSSZZZSPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42O/c1-3-5-6-8-15-22(14-4-2)16-13-20-24(19-11-12-21-25)23-17-9-7-10-18-23/h7,9-10,17-18,22,24-25H,3-6,8,11-16,19-21H2,1-2H3.
What are the key properties of 5-phenyl-9-propylpentadecan-1-ol?
5-phenyl-9-propylpentadecan-1-ol has a molecular weight of 346.60 g/mol, XLogP of 7.49, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-9-propylpentadecan-1-ol is sourced from PubChem (CID 154445403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).