(2S)-2-[(1S)-1-phenylethyl]oxolane

C12H16O — CID 118374007

IUPAC(2S)-2-[(1S)-1-phenylethyl]oxolane
SMILESC[C@@H](c1ccccc1)[C@@H]1CCCO1
InChIInChI=1S/C12H16O/c1-10(12-8-5-9-13-12)11-6-3-2-4-7-11/h2-4,6-7,10,12H,5,8-9H2,1H3/t10-,12-/m0/s1
InChIKeyIZZLDHSIXPWQSN-JQWIXIFHSA-N
MW176.26 g/mol
LogP2.97
Rot. Bonds2

About (2S)-2-[(1S)-1-phenylethyl]oxolane

(2S)-2-[(1S)-1-phenylethyl]oxolane (PubChem CID 118374007) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is (2S)-2-[(1S)-1-phenylethyl]oxolane.

Molecular Properties

Compound Name(2S)-2-[(1S)-1-phenylethyl]oxolane
PubChem CID118374007
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name(2S)-2-[(1S)-1-phenylethyl]oxolane
SMILESC[C@@H](c1ccccc1)[C@@H]1CCCO1
InChIInChI=1S/C12H16O/c1-10(12-8-5-9-13-12)11-6-3-2-4-7-11/h2-4,6-7,10,12H,5,8-9H2,1H3/t10-,12-/m0/s1
InChIKeyIZZLDHSIXPWQSN-JQWIXIFHSA-N
XLogP2.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-[(1S)-2-methyl-1-phenylpropyl]oxolane
CID 118371657
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
3-(1-phenylethyl)dioxolane
CID 19709455
(2S)-2-(1-phenylselanylethyl)oxolane
CID 137284926
(2R)-2-[(1S)-1-phenylselanylethyl]oxolane
CID 102417969
2-amino-N-[1-(oxolan-2-yl)ethyl]-2-phenylacetamide;hydrochloride
CID 119292175
3-methyl-N-[1-(oxolan-2-yl)ethyl]-1-phenylbutan-1-amine
CID 43108572
[2-(1-phenylethyl)oxan-3-yl]methanamine
CID 79368315
N-methyl-1-(oxan-2-yl)-1-phenylmethanamine
CID 62213165
[(1S)-1-cyclopentylethyl]benzene
CID 102346711

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1S)-1-phenylethyl]oxolane?
The IUPAC name of (2S)-2-[(1S)-1-phenylethyl]oxolane (CID 118374007) is (2S)-2-[(1S)-1-phenylethyl]oxolane.
What is the SMILES notation for (2S)-2-[(1S)-1-phenylethyl]oxolane?
The canonical SMILES for (2S)-2-[(1S)-1-phenylethyl]oxolane is C[C@@H](c1ccccc1)[C@@H]1CCCO1.
What is the InChIKey of (2S)-2-[(1S)-1-phenylethyl]oxolane?
The InChIKey is IZZLDHSIXPWQSN-JQWIXIFHSA-N. The full InChI is InChI=1S/C12H16O/c1-10(12-8-5-9-13-12)11-6-3-2-4-7-11/h2-4,6-7,10,12H,5,8-9H2,1H3/t10-,12-/m0/s1.
What are the key properties of (2S)-2-[(1S)-1-phenylethyl]oxolane?
(2S)-2-[(1S)-1-phenylethyl]oxolane has a molecular weight of 176.26 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1S)-1-phenylethyl]oxolane is sourced from PubChem (CID 118374007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).