2-pentadecyl-1-phenylcyclobutan-1-ol

C25H42O — CID 66721936

IUPAC2-pentadecyl-1-phenylcyclobutan-1-ol
SMILESCCCCCCCCCCCCCCCC1CCC1(O)c1ccccc1
InChIInChI=1S/C25H42O/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-20-24-21-22-25(24,26)23-18-16-14-17-19-23/h14,16-19,24,26H,2-13,15,20-22H2,1H3
InChIKeyMAMIHGPGIQPUKW-UHFFFAOYSA-N
MW358.61 g/mol
LogP7.77
Rot. Bonds15

About 2-pentadecyl-1-phenylcyclobutan-1-ol

2-pentadecyl-1-phenylcyclobutan-1-ol (PubChem CID 66721936) has the molecular formula C25H42O and a molecular weight of 358.61 g/mol. Its IUPAC name is 2-pentadecyl-1-phenylcyclobutan-1-ol.

Molecular Properties

Compound Name2-pentadecyl-1-phenylcyclobutan-1-ol
PubChem CID66721936
Molecular FormulaC25H42O
Molecular Weight358.61 g/mol
Exact Mass358.32
IUPAC Name2-pentadecyl-1-phenylcyclobutan-1-ol
SMILESCCCCCCCCCCCCCCCC1CCC1(O)c1ccccc1
InChIInChI=1S/C25H42O/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-20-24-21-22-25(24,26)23-18-16-14-17-19-23/h14,16-19,24,26H,2-13,15,20-22H2,1H3
InChIKeyMAMIHGPGIQPUKW-UHFFFAOYSA-N
XLogP7.77
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.61
LogP ≤ 57.77
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 2-pentadecyl-1-phenylcyclobutan-1-ol?
The IUPAC name of 2-pentadecyl-1-phenylcyclobutan-1-ol (CID 66721936) is 2-pentadecyl-1-phenylcyclobutan-1-ol.
What is the SMILES notation for 2-pentadecyl-1-phenylcyclobutan-1-ol?
The canonical SMILES for 2-pentadecyl-1-phenylcyclobutan-1-ol is CCCCCCCCCCCCCCCC1CCC1(O)c1ccccc1.
What is the InChIKey of 2-pentadecyl-1-phenylcyclobutan-1-ol?
The InChIKey is MAMIHGPGIQPUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H42O/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-20-24-21-22-25(24,26)23-18-16-14-17-19-23/h14,16-19,24,26H,2-13,15,20-22H2,1H3.
What are the key properties of 2-pentadecyl-1-phenylcyclobutan-1-ol?
2-pentadecyl-1-phenylcyclobutan-1-ol has a molecular weight of 358.61 g/mol, XLogP of 7.77, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentadecyl-1-phenylcyclobutan-1-ol is sourced from PubChem (CID 66721936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).