cyclopenten-1-yl-(2,4,6-trimethylphenyl)methanol

C15H20O — CID 62078570

IUPACcyclopenten-1-yl-(2,4,6-trimethylphenyl)methanol
SMILESCc1cc(C)c(C(O)C2=CCCC2)c(C)c1
InChIInChI=1S/C15H20O/c1-10-8-11(2)14(12(3)9-10)15(16)13-6-4-5-7-13/h6,8-9,15-16H,4-5,7H2,1-3H3
InChIKeyQUOMNFAFVNJZDS-UHFFFAOYSA-N
MW216.32 g/mol
LogP3.76
Rot. Bonds2

About cyclopenten-1-yl-(2,4,6-trimethylphenyl)methanol

cyclopenten-1-yl-(2,4,6-trimethylphenyl)methanol (PubChem CID 62078570) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is cyclopenten-1-yl-(2,4,6-trimethylphenyl)methanol.

Molecular Properties

Compound Namecyclopenten-1-yl-(2,4,6-trimethylphenyl)methanol
PubChem CID62078570
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Namecyclopenten-1-yl-(2,4,6-trimethylphenyl)methanol
SMILESCc1cc(C)c(C(O)C2=CCCC2)c(C)c1
InChIInChI=1S/C15H20O/c1-10-8-11(2)14(12(3)9-10)15(16)13-6-4-5-7-13/h6,8-9,15-16H,4-5,7H2,1-3H3
InChIKeyQUOMNFAFVNJZDS-UHFFFAOYSA-N
XLogP3.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclopenten-1-yl-(2,4,6-trimethylphenyl)methanol?
The IUPAC name of cyclopenten-1-yl-(2,4,6-trimethylphenyl)methanol (CID 62078570) is cyclopenten-1-yl-(2,4,6-trimethylphenyl)methanol.
What is the SMILES notation for cyclopenten-1-yl-(2,4,6-trimethylphenyl)methanol?
The canonical SMILES for cyclopenten-1-yl-(2,4,6-trimethylphenyl)methanol is Cc1cc(C)c(C(O)C2=CCCC2)c(C)c1.
What is the InChIKey of cyclopenten-1-yl-(2,4,6-trimethylphenyl)methanol?
The InChIKey is QUOMNFAFVNJZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O/c1-10-8-11(2)14(12(3)9-10)15(16)13-6-4-5-7-13/h6,8-9,15-16H,4-5,7H2,1-3H3.
What are the key properties of cyclopenten-1-yl-(2,4,6-trimethylphenyl)methanol?
cyclopenten-1-yl-(2,4,6-trimethylphenyl)methanol has a molecular weight of 216.32 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenten-1-yl-(2,4,6-trimethylphenyl)methanol is sourced from PubChem (CID 62078570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).