(2S)-2-[(1S)-2-methyl-1-phenylpropyl]oxolane

C14H20O — CID 118371657

IUPAC(2S)-2-[(1S)-2-methyl-1-phenylpropyl]oxolane
SMILESCC(C)[C@@H](c1ccccc1)[C@@H]1CCCO1
InChIInChI=1S/C14H20O/c1-11(2)14(13-9-6-10-15-13)12-7-4-3-5-8-12/h3-5,7-8,11,13-14H,6,9-10H2,1-2H3/t13-,14-/m0/s1
InChIKeyNBZQDGPYRWWQJQ-KBPBESRZSA-N
MW204.31 g/mol
LogP3.61
Rot. Bonds3

About (2S)-2-[(1S)-2-methyl-1-phenylpropyl]oxolane

(2S)-2-[(1S)-2-methyl-1-phenylpropyl]oxolane (PubChem CID 118371657) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is (2S)-2-[(1S)-2-methyl-1-phenylpropyl]oxolane.

Molecular Properties

Compound Name(2S)-2-[(1S)-2-methyl-1-phenylpropyl]oxolane
PubChem CID118371657
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name(2S)-2-[(1S)-2-methyl-1-phenylpropyl]oxolane
SMILESCC(C)[C@@H](c1ccccc1)[C@@H]1CCCO1
InChIInChI=1S/C14H20O/c1-11(2)14(13-9-6-10-15-13)12-7-4-3-5-8-12/h3-5,7-8,11,13-14H,6,9-10H2,1-2H3/t13-,14-/m0/s1
InChIKeyNBZQDGPYRWWQJQ-KBPBESRZSA-N
XLogP3.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-[(1S)-1-phenylethyl]oxolane
CID 118374007
2-[chloro(phenyl)methyl]oxolane
CID 11084790
(1S,2R)-N-methyl-1-[(2S)-oxolan-2-yl]-2-phenylpropan-1-amine
CID 124705823
(1S)-1-[(2R)-oxolan-2-yl]-1-phenylpropan-2-one
CID 134925712
(2R)-2-[(1S)-1-phenylselanylethyl]oxolane
CID 102417969
(2S)-2-(1-phenylselanylethyl)oxolane
CID 137284926
3-methyl-N-[1-(oxolan-2-yl)ethyl]-1-phenylbutan-1-amine
CID 43108572
N-methyl-1-(oxan-2-yl)-1-phenylmethanamine
CID 62213165
2-amino-N-[1-(oxolan-2-yl)ethyl]-2-phenylacetamide;hydrochloride
CID 119292175
N-[(1R)-1-[(2S)-oxolan-2-yl]-2-phenylethyl]propan-2-amine
CID 125486098
(2S)-2-(oxan-2-yl)-2-phenylethanol
CID 101229942
2-cyano-N-[1-(oxolan-2-yl)ethyl]-2-phenylacetamide
CID 62878936

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1S)-2-methyl-1-phenylpropyl]oxolane?
The IUPAC name of (2S)-2-[(1S)-2-methyl-1-phenylpropyl]oxolane (CID 118371657) is (2S)-2-[(1S)-2-methyl-1-phenylpropyl]oxolane.
What is the SMILES notation for (2S)-2-[(1S)-2-methyl-1-phenylpropyl]oxolane?
The canonical SMILES for (2S)-2-[(1S)-2-methyl-1-phenylpropyl]oxolane is CC(C)[C@@H](c1ccccc1)[C@@H]1CCCO1.
What is the InChIKey of (2S)-2-[(1S)-2-methyl-1-phenylpropyl]oxolane?
The InChIKey is NBZQDGPYRWWQJQ-KBPBESRZSA-N. The full InChI is InChI=1S/C14H20O/c1-11(2)14(13-9-6-10-15-13)12-7-4-3-5-8-12/h3-5,7-8,11,13-14H,6,9-10H2,1-2H3/t13-,14-/m0/s1.
What are the key properties of (2S)-2-[(1S)-2-methyl-1-phenylpropyl]oxolane?
(2S)-2-[(1S)-2-methyl-1-phenylpropyl]oxolane has a molecular weight of 204.31 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1S)-2-methyl-1-phenylpropyl]oxolane is sourced from PubChem (CID 118371657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).