(2S,4R,6R)-2-(2-phenylethyl)-6-prop-2-enyloxan-4-ol

C16H22O2 — CID 102185556

IUPAC(2S,4R,6R)-2-(2-phenylethyl)-6-prop-2-enyloxan-4-ol
SMILESC=CC[C@@H]1C[C@H](O)C[C@H](CCc2ccccc2)O1
InChIInChI=1S/C16H22O2/c1-2-6-15-11-14(17)12-16(18-15)10-9-13-7-4-3-5-8-13/h2-5,7-8,14-17H,1,6,9-12H2/t14-,15+,16-/m0/s1
InChIKeyRFOPBUKYVUIRNL-XHSDSOJGSA-N
MW246.35 g/mol
LogP3.10
Rot. Bonds5

About (2S,4R,6R)-2-(2-phenylethyl)-6-prop-2-enyloxan-4-ol

(2S,4R,6R)-2-(2-phenylethyl)-6-prop-2-enyloxan-4-ol (PubChem CID 102185556) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is (2S,4R,6R)-2-(2-phenylethyl)-6-prop-2-enyloxan-4-ol.

Molecular Properties

Compound Name(2S,4R,6R)-2-(2-phenylethyl)-6-prop-2-enyloxan-4-ol
PubChem CID102185556
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name(2S,4R,6R)-2-(2-phenylethyl)-6-prop-2-enyloxan-4-ol
SMILESC=CC[C@@H]1C[C@H](O)C[C@H](CCc2ccccc2)O1
InChIInChI=1S/C16H22O2/c1-2-6-15-11-14(17)12-16(18-15)10-9-13-7-4-3-5-8-13/h2-5,7-8,14-17H,1,6,9-12H2/t14-,15+,16-/m0/s1
InChIKeyRFOPBUKYVUIRNL-XHSDSOJGSA-N
XLogP3.10
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2S,4R,6R)-2-(2-phenylethyl)-6-prop-2-enyloxan-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2S,4R,6R)-2-(2-phenylethyl)-6-prop-2-enyloxan-4-yl] 2,2,2-trifluoroacetate
CID 102185560
(2S,5S)-2,5-bis(2-phenylethyl)oxolane
CID 11108749
(2R,4S,6R)-2-(aminomethyl)-6-prop-2-enyloxan-4-ol
CID 178195325
(2R,5S)-5-(2-phenylethyl)oxolan-2-ol
CID 86339415
4-[2-[(4S,6R)-2,2-dimethyl-6-prop-2-enyl-1,3-dioxan-4-yl]ethyl]phenol
CID 134831692
2,2-dioxo-6-(2-phenylethyl)-4-prop-2-enyloxathiazinan-5-ol
CID 24761798
2-(2-phenylethyl)oxetane
CID 13354102
(2S,6S)-2-(phenylmethoxymethyl)-6-prop-2-enyloxane
CID 11622905
(2R,4S,6R)-2-(4-methoxyphenyl)-6-[2-(4-methoxyphenyl)ethyl]oxan-4-ol
CID 122367194
(4S,6R)-4-benzyl-6-prop-2-enyl-1,3-dioxan-2-one
CID 122388225
(2S,4aR,6R,8S,8aS)-2-phenyl-6-prop-2-enyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol
CID 11391740
methyl 2-[(2S,3R,5R)-2,5-bis(2-phenylethyl)oxolan-3-yl]prop-2-enoate
CID 134940795

Frequently Asked Questions

What is the IUPAC name of (2S,4R,6R)-2-(2-phenylethyl)-6-prop-2-enyloxan-4-ol?
The IUPAC name of (2S,4R,6R)-2-(2-phenylethyl)-6-prop-2-enyloxan-4-ol (CID 102185556) is (2S,4R,6R)-2-(2-phenylethyl)-6-prop-2-enyloxan-4-ol.
What is the SMILES notation for (2S,4R,6R)-2-(2-phenylethyl)-6-prop-2-enyloxan-4-ol?
The canonical SMILES for (2S,4R,6R)-2-(2-phenylethyl)-6-prop-2-enyloxan-4-ol is C=CC[C@@H]1C[C@H](O)C[C@H](CCc2ccccc2)O1.
What is the InChIKey of (2S,4R,6R)-2-(2-phenylethyl)-6-prop-2-enyloxan-4-ol?
The InChIKey is RFOPBUKYVUIRNL-XHSDSOJGSA-N. The full InChI is InChI=1S/C16H22O2/c1-2-6-15-11-14(17)12-16(18-15)10-9-13-7-4-3-5-8-13/h2-5,7-8,14-17H,1,6,9-12H2/t14-,15+,16-/m0/s1.
What are the key properties of (2S,4R,6R)-2-(2-phenylethyl)-6-prop-2-enyloxan-4-ol?
(2S,4R,6R)-2-(2-phenylethyl)-6-prop-2-enyloxan-4-ol has a molecular weight of 246.35 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R,6R)-2-(2-phenylethyl)-6-prop-2-enyloxan-4-ol is sourced from PubChem (CID 102185556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).