6-propan-2-ylpicen-2-ol

C25H20O — CID 174468294

IUPAC6-propan-2-ylpicen-2-ol
SMILESCC(C)c1cc2ccc(O)cc2c2ccc3c4ccccc4ccc3c12
InChIInChI=1S/C25H20O/c1-15(2)23-13-17-7-9-18(26)14-24(17)22-12-11-20-19-6-4-3-5-16(19)8-10-21(20)25(22)23/h3-15,26H,1-2H3
InChIKeyJBPWVKIXEHPZAG-UHFFFAOYSA-N
MW336.43 g/mol
LogP7.13
Rot. Bonds1

About 6-propan-2-ylpicen-2-ol

6-propan-2-ylpicen-2-ol (PubChem CID 174468294) has the molecular formula C25H20O and a molecular weight of 336.43 g/mol. Its IUPAC name is 6-propan-2-ylpicen-2-ol.

Molecular Properties

Compound Name6-propan-2-ylpicen-2-ol
PubChem CID174468294
Molecular FormulaC25H20O
Molecular Weight336.43 g/mol
Exact Mass336.15
IUPAC Name6-propan-2-ylpicen-2-ol
SMILESCC(C)c1cc2ccc(O)cc2c2ccc3c4ccccc4ccc3c12
InChIInChI=1S/C25H20O/c1-15(2)23-13-17-7-9-18(26)14-24(17)22-12-11-20-19-6-4-3-5-16(19)8-10-21(20)25(22)23/h3-15,26H,1-2H3
InChIKeyJBPWVKIXEHPZAG-UHFFFAOYSA-N
XLogP7.13
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.43
LogP ≤ 57.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-propan-2-ylpicen-2-ol?
The IUPAC name of 6-propan-2-ylpicen-2-ol (CID 174468294) is 6-propan-2-ylpicen-2-ol.
What is the SMILES notation for 6-propan-2-ylpicen-2-ol?
The canonical SMILES for 6-propan-2-ylpicen-2-ol is CC(C)c1cc2ccc(O)cc2c2ccc3c4ccccc4ccc3c12.
What is the InChIKey of 6-propan-2-ylpicen-2-ol?
The InChIKey is JBPWVKIXEHPZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20O/c1-15(2)23-13-17-7-9-18(26)14-24(17)22-12-11-20-19-6-4-3-5-16(19)8-10-21(20)25(22)23/h3-15,26H,1-2H3.
What are the key properties of 6-propan-2-ylpicen-2-ol?
6-propan-2-ylpicen-2-ol has a molecular weight of 336.43 g/mol, XLogP of 7.13, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-ylpicen-2-ol is sourced from PubChem (CID 174468294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).