(3S,4S,5R)-5-phenyl-4-prop-2-enyloxolan-3-ol

C13H16O2 — CID 12996147

IUPAC(3S,4S,5R)-5-phenyl-4-prop-2-enyloxolan-3-ol
SMILESC=CC[C@H]1[C@H](O)CO[C@H]1c1ccccc1
InChIInChI=1S/C13H16O2/c1-2-6-11-12(14)9-15-13(11)10-7-4-3-5-8-10/h2-5,7-8,11-14H,1,6,9H2/t11-,12+,13-/m0/s1
InChIKeyRGUGOJLATFSMSG-XQQFMLRXSA-N
MW204.27 g/mol
LogP2.31
Rot. Bonds3

About (3S,4S,5R)-5-phenyl-4-prop-2-enyloxolan-3-ol

(3S,4S,5R)-5-phenyl-4-prop-2-enyloxolan-3-ol (PubChem CID 12996147) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is (3S,4S,5R)-5-phenyl-4-prop-2-enyloxolan-3-ol.

Molecular Properties

Compound Name(3S,4S,5R)-5-phenyl-4-prop-2-enyloxolan-3-ol
PubChem CID12996147
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name(3S,4S,5R)-5-phenyl-4-prop-2-enyloxolan-3-ol
SMILESC=CC[C@H]1[C@H](O)CO[C@H]1c1ccccc1
InChIInChI=1S/C13H16O2/c1-2-6-11-12(14)9-15-13(11)10-7-4-3-5-8-10/h2-5,7-8,11-14H,1,6,9H2/t11-,12+,13-/m0/s1
InChIKeyRGUGOJLATFSMSG-XQQFMLRXSA-N
XLogP2.31
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.31
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

4-ethenyl-2-phenyloxolan-3-ol
CID 130149084
(4-ethenyl-5-phenyloxolan-3-yl)methanol
CID 101456903
(2R,3R,5R,6R)-2,3-diphenyl-5,6-bis(prop-2-enyl)-1,4-dioxane
CID 11141751
(2R,4R)-4-phenyl-2-prop-2-enyl-1,3-dioxane
CID 71376459
(2-phenyl-5-prop-2-enyl-1,3-dioxan-4-yl)methanol
CID 571097
(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
2-phenyloxirane;3-prop-2-enoxyprop-1-ene
CID 87729483
[(2S,4R,5R)-5-methyl-2-phenyl-4-prop-2-enyl-1,3-dioxan-5-yl]methanol
CID 11470665
(2R,3R,4R)-4-ethenyl-3-nitro-2-phenyloxolane
CID 135041702
4-phenyl-5-prop-2-enyloxolan-2-one
CID 14448606
bis(nitric acid);2-phenyloxolane-3,4-diol
CID 88723000
3-phenyl-5-prop-2-enyl-2,3,5,6,7,7a-hexahydropyrrolo[2,1-b][1,3]oxazole
CID 3771762

Frequently Asked Questions

What is the IUPAC name of (3S,4S,5R)-5-phenyl-4-prop-2-enyloxolan-3-ol?
The IUPAC name of (3S,4S,5R)-5-phenyl-4-prop-2-enyloxolan-3-ol (CID 12996147) is (3S,4S,5R)-5-phenyl-4-prop-2-enyloxolan-3-ol.
What is the SMILES notation for (3S,4S,5R)-5-phenyl-4-prop-2-enyloxolan-3-ol?
The canonical SMILES for (3S,4S,5R)-5-phenyl-4-prop-2-enyloxolan-3-ol is C=CC[C@H]1[C@H](O)CO[C@H]1c1ccccc1.
What is the InChIKey of (3S,4S,5R)-5-phenyl-4-prop-2-enyloxolan-3-ol?
The InChIKey is RGUGOJLATFSMSG-XQQFMLRXSA-N. The full InChI is InChI=1S/C13H16O2/c1-2-6-11-12(14)9-15-13(11)10-7-4-3-5-8-10/h2-5,7-8,11-14H,1,6,9H2/t11-,12+,13-/m0/s1.
What are the key properties of (3S,4S,5R)-5-phenyl-4-prop-2-enyloxolan-3-ol?
(3S,4S,5R)-5-phenyl-4-prop-2-enyloxolan-3-ol has a molecular weight of 204.27 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S,5R)-5-phenyl-4-prop-2-enyloxolan-3-ol is sourced from PubChem (CID 12996147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).