[(3R,5S)-5-ethenyl-3-[(2-methylphenyl)methyl]oxolan-3-yl]methanol

C15H20O2 — CID 16720298

IUPAC[(3R,5S)-5-ethenyl-3-[(2-methylphenyl)methyl]oxolan-3-yl]methanol
SMILESC=C[C@@H]1C[C@@](CO)(Cc2ccccc2C)CO1
InChIInChI=1S/C15H20O2/c1-3-14-9-15(10-16,11-17-14)8-13-7-5-4-6-12(13)2/h3-7,14,16H,1,8-11H2,2H3/t14-,15-/m1/s1
InChIKeyILTUDRSIWKJBSQ-HUUCEWRRSA-N
MW232.32 g/mol
LogP2.49
Rot. Bonds4

About [(3R,5S)-5-ethenyl-3-[(2-methylphenyl)methyl]oxolan-3-yl]methanol

[(3R,5S)-5-ethenyl-3-[(2-methylphenyl)methyl]oxolan-3-yl]methanol (PubChem CID 16720298) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is [(3R,5S)-5-ethenyl-3-[(2-methylphenyl)methyl]oxolan-3-yl]methanol.

Molecular Properties

Compound Name[(3R,5S)-5-ethenyl-3-[(2-methylphenyl)methyl]oxolan-3-yl]methanol
PubChem CID16720298
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name[(3R,5S)-5-ethenyl-3-[(2-methylphenyl)methyl]oxolan-3-yl]methanol
SMILESC=C[C@@H]1C[C@@](CO)(Cc2ccccc2C)CO1
InChIInChI=1S/C15H20O2/c1-3-14-9-15(10-16,11-17-14)8-13-7-5-4-6-12(13)2/h3-7,14,16H,1,8-11H2,2H3/t14-,15-/m1/s1
InChIKeyILTUDRSIWKJBSQ-HUUCEWRRSA-N
XLogP2.49
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(bromomethyl)-3-[(2-methylphenyl)methyl]oxolane
CID 66048541
2-[(2-methylphenyl)methyl]-1,3-dihydroinden-2-ol
CID 60797949
methane;1-methyl-2-prop-2-enylbenzene
CID 174365033
1-methyl-2-prop-2-enylbenzene;sulfane
CID 174918280
N-[[4-[(2-methylphenyl)methyl]oxan-4-yl]methyl]cyclopropanamine
CID 62906269
2-[(2-methylphenyl)methyl-prop-2-enylamino]ethanol
CID 111423251
N-[[1-[(2-methylphenyl)methyl]cyclopropyl]methyl]propan-2-amine
CID 66025115
[1-[(2-methoxyphenyl)methyl]-3-[(2-methylphenyl)methyl]piperidin-3-yl]methanol
CID 45213151
4,4-dimethyl-2-[(2-methylphenyl)methyl]-1,3-oxazolidine
CID 117228287
[(3S)-3-[(2-fluorophenyl)methyl]-1-[(2-methylphenyl)methyl]piperidin-3-yl]methanol
CID 26392732
(4-fluorophenyl)-[(3R)-3-(hydroxymethyl)-3-[(2-methylphenyl)methyl]piperidin-1-yl]methanone
CID 25278388
[3-[(2-methylphenyl)methyl]-1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]methanol
CID 45249436

Frequently Asked Questions

What is the IUPAC name of [(3R,5S)-5-ethenyl-3-[(2-methylphenyl)methyl]oxolan-3-yl]methanol?
The IUPAC name of [(3R,5S)-5-ethenyl-3-[(2-methylphenyl)methyl]oxolan-3-yl]methanol (CID 16720298) is [(3R,5S)-5-ethenyl-3-[(2-methylphenyl)methyl]oxolan-3-yl]methanol.
What is the SMILES notation for [(3R,5S)-5-ethenyl-3-[(2-methylphenyl)methyl]oxolan-3-yl]methanol?
The canonical SMILES for [(3R,5S)-5-ethenyl-3-[(2-methylphenyl)methyl]oxolan-3-yl]methanol is C=C[C@@H]1C[C@@](CO)(Cc2ccccc2C)CO1.
What is the InChIKey of [(3R,5S)-5-ethenyl-3-[(2-methylphenyl)methyl]oxolan-3-yl]methanol?
The InChIKey is ILTUDRSIWKJBSQ-HUUCEWRRSA-N. The full InChI is InChI=1S/C15H20O2/c1-3-14-9-15(10-16,11-17-14)8-13-7-5-4-6-12(13)2/h3-7,14,16H,1,8-11H2,2H3/t14-,15-/m1/s1.
What are the key properties of [(3R,5S)-5-ethenyl-3-[(2-methylphenyl)methyl]oxolan-3-yl]methanol?
[(3R,5S)-5-ethenyl-3-[(2-methylphenyl)methyl]oxolan-3-yl]methanol has a molecular weight of 232.32 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5S)-5-ethenyl-3-[(2-methylphenyl)methyl]oxolan-3-yl]methanol is sourced from PubChem (CID 16720298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).