2-cyclohexyl-8-methylpyren-1-ol

C23H22O — CID 174259447

IUPAC2-cyclohexyl-8-methylpyren-1-ol
SMILESCc1ccc2ccc3cc(C4CCCCC4)c(O)c4ccc1c2c34
InChIInChI=1S/C23H22O/c1-14-7-8-16-9-10-17-13-20(15-5-3-2-4-6-15)23(24)19-12-11-18(14)21(16)22(17)19/h7-13,15,24H,2-6H2,1H3
InChIKeyRKJLGUUQAMZGGT-UHFFFAOYSA-N
MW314.43 g/mol
LogP6.65
Rot. Bonds1

About 2-cyclohexyl-8-methylpyren-1-ol

2-cyclohexyl-8-methylpyren-1-ol (PubChem CID 174259447) has the molecular formula C23H22O and a molecular weight of 314.43 g/mol. Its IUPAC name is 2-cyclohexyl-8-methylpyren-1-ol.

Molecular Properties

Compound Name2-cyclohexyl-8-methylpyren-1-ol
PubChem CID174259447
Molecular FormulaC23H22O
Molecular Weight314.43 g/mol
Exact Mass314.17
IUPAC Name2-cyclohexyl-8-methylpyren-1-ol
SMILESCc1ccc2ccc3cc(C4CCCCC4)c(O)c4ccc1c2c34
InChIInChI=1S/C23H22O/c1-14-7-8-16-9-10-17-13-20(15-5-3-2-4-6-15)23(24)19-12-11-18(14)21(16)22(17)19/h7-13,15,24H,2-6H2,1H3
InChIKeyRKJLGUUQAMZGGT-UHFFFAOYSA-N
XLogP6.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.43
LogP ≤ 56.65
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 2-cyclohexyl-8-methylpyren-1-ol?
The IUPAC name of 2-cyclohexyl-8-methylpyren-1-ol (CID 174259447) is 2-cyclohexyl-8-methylpyren-1-ol.
What is the SMILES notation for 2-cyclohexyl-8-methylpyren-1-ol?
The canonical SMILES for 2-cyclohexyl-8-methylpyren-1-ol is Cc1ccc2ccc3cc(C4CCCCC4)c(O)c4ccc1c2c34.
What is the InChIKey of 2-cyclohexyl-8-methylpyren-1-ol?
The InChIKey is RKJLGUUQAMZGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22O/c1-14-7-8-16-9-10-17-13-20(15-5-3-2-4-6-15)23(24)19-12-11-18(14)21(16)22(17)19/h7-13,15,24H,2-6H2,1H3.
What are the key properties of 2-cyclohexyl-8-methylpyren-1-ol?
2-cyclohexyl-8-methylpyren-1-ol has a molecular weight of 314.43 g/mol, XLogP of 6.65, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-8-methylpyren-1-ol is sourced from PubChem (CID 174259447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).