[(2R,5S)-2-(4-methylphenyl)-5-(2-methylprop-1-enyl)oxolan-2-yl]methanol

C16H22O2 — CID 155935793

IUPAC[(2R,5S)-2-(4-methylphenyl)-5-(2-methylprop-1-enyl)oxolan-2-yl]methanol
SMILESCC(C)=C[C@@H]1CC[C@](CO)(c2ccc(C)cc2)O1
InChIInChI=1S/C16H22O2/c1-12(2)10-15-8-9-16(11-17,18-15)14-6-4-13(3)5-7-14/h4-7,10,15,17H,8-9,11H2,1-3H3/t15-,16-/m0/s1
InChIKeyYGUPIOXNZRPSGD-HOTGVXAUSA-N
MW246.35 g/mol
LogP3.33
Rot. Bonds3

About [(2R,5S)-2-(4-methylphenyl)-5-(2-methylprop-1-enyl)oxolan-2-yl]methanol

[(2R,5S)-2-(4-methylphenyl)-5-(2-methylprop-1-enyl)oxolan-2-yl]methanol (PubChem CID 155935793) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is [(2R,5S)-2-(4-methylphenyl)-5-(2-methylprop-1-enyl)oxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2R,5S)-2-(4-methylphenyl)-5-(2-methylprop-1-enyl)oxolan-2-yl]methanol
PubChem CID155935793
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name[(2R,5S)-2-(4-methylphenyl)-5-(2-methylprop-1-enyl)oxolan-2-yl]methanol
SMILESCC(C)=C[C@@H]1CC[C@](CO)(c2ccc(C)cc2)O1
InChIInChI=1S/C16H22O2/c1-12(2)10-15-8-9-16(11-17,18-15)14-6-4-13(3)5-7-14/h4-7,10,15,17H,8-9,11H2,1-3H3/t15-,16-/m0/s1
InChIKeyYGUPIOXNZRPSGD-HOTGVXAUSA-N
XLogP3.33
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 [(2R,5S)-2-(4-methylphenyl)-5-(2-methylprop-1-enyl)oxolan-2-yl]methanol?
The IUPAC name of [(2R,5S)-2-(4-methylphenyl)-5-(2-methylprop-1-enyl)oxolan-2-yl]methanol (CID 155935793) is [(2R,5S)-2-(4-methylphenyl)-5-(2-methylprop-1-enyl)oxolan-2-yl]methanol.
What is the SMILES notation for [(2R,5S)-2-(4-methylphenyl)-5-(2-methylprop-1-enyl)oxolan-2-yl]methanol?
The canonical SMILES for [(2R,5S)-2-(4-methylphenyl)-5-(2-methylprop-1-enyl)oxolan-2-yl]methanol is CC(C)=C[C@@H]1CC[C@](CO)(c2ccc(C)cc2)O1.
What is the InChIKey of [(2R,5S)-2-(4-methylphenyl)-5-(2-methylprop-1-enyl)oxolan-2-yl]methanol?
The InChIKey is YGUPIOXNZRPSGD-HOTGVXAUSA-N. The full InChI is InChI=1S/C16H22O2/c1-12(2)10-15-8-9-16(11-17,18-15)14-6-4-13(3)5-7-14/h4-7,10,15,17H,8-9,11H2,1-3H3/t15-,16-/m0/s1.
What are the key properties of [(2R,5S)-2-(4-methylphenyl)-5-(2-methylprop-1-enyl)oxolan-2-yl]methanol?
[(2R,5S)-2-(4-methylphenyl)-5-(2-methylprop-1-enyl)oxolan-2-yl]methanol has a molecular weight of 246.35 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5S)-2-(4-methylphenyl)-5-(2-methylprop-1-enyl)oxolan-2-yl]methanol is sourced from PubChem (CID 155935793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).