[(2S,4R,5R)-5-methyl-2-phenyl-4-prop-2-enyl-1,3-dioxan-5-yl]methanol

C15H20O3 — CID 11470665

IUPAC[(2S,4R,5R)-5-methyl-2-phenyl-4-prop-2-enyl-1,3-dioxan-5-yl]methanol
SMILESC=CC[C@H]1O[C@@H](c2ccccc2)OC[C@@]1(C)CO
InChIInChI=1S/C15H20O3/c1-3-7-13-15(2,10-16)11-17-14(18-13)12-8-5-4-6-9-12/h3-6,8-9,13-14,16H,1,7,10-11H2,2H3/t13-,14+,15-/m1/s1
InChIKeyDOSOLRFWRGEUHN-QLFBSQMISA-N
MW248.32 g/mol
LogP2.68
Rot. Bonds4

About [(2S,4R,5R)-5-methyl-2-phenyl-4-prop-2-enyl-1,3-dioxan-5-yl]methanol

[(2S,4R,5R)-5-methyl-2-phenyl-4-prop-2-enyl-1,3-dioxan-5-yl]methanol (PubChem CID 11470665) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is [(2S,4R,5R)-5-methyl-2-phenyl-4-prop-2-enyl-1,3-dioxan-5-yl]methanol.

Molecular Properties

Compound Name[(2S,4R,5R)-5-methyl-2-phenyl-4-prop-2-enyl-1,3-dioxan-5-yl]methanol
PubChem CID11470665
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name[(2S,4R,5R)-5-methyl-2-phenyl-4-prop-2-enyl-1,3-dioxan-5-yl]methanol
SMILESC=CC[C@H]1O[C@@H](c2ccccc2)OC[C@@]1(C)CO
InChIInChI=1S/C15H20O3/c1-3-7-13-15(2,10-16)11-17-14(18-13)12-8-5-4-6-9-12/h3-6,8-9,13-14,16H,1,7,10-11H2,2H3/t13-,14+,15-/m1/s1
InChIKeyDOSOLRFWRGEUHN-QLFBSQMISA-N
XLogP2.68
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S,4R,5S)-4-(hydroxymethyl)-5-methyl-2-phenyl-1,3-dioxan-5-ol
CID 11736231
4-ethenyl-5,5-dimethyl-2-phenyl-1,3-dioxane
CID 68896314
(2-phenyl-5-prop-2-enyl-1,3-dioxan-4-yl)methanol
CID 571097
(2S,3R)-3-[[(2R,4S,5R)-5-hydroxy-5-methyl-2-phenyl-1,3-dioxan-4-yl]methyl]-2-methyloxirane-2-carbaldehyde
CID 102113579
(1S,3R,6R,8S,10R,12S,13R)-12-ethenyl-1,3,12-trimethyl-6-phenyl-2,5,7,11-tetraoxatricyclo[8.4.0.03,8]tetradecan-13-ol
CID 11222143
(1S,3R,6R,8S,10R,12S,14R,15S,17R)-17-methoxy-3-methyl-6-phenyl-15-prop-2-enyl-2,5,7,11,16-pentaoxatetracyclo[8.8.0.03,8.012,17]octadecan-14-ol
CID 11683448
[(1R,2S)-1-methyl-2-phenylcyclopropyl]methanol
CID 10607081
(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
(2R,4R)-4-phenyl-2-prop-2-enyl-1,3-dioxane
CID 71376459
(4R)-5,5-dimethyl-2-phenyl-1,3-dioxane-4-carbaldehyde
CID 86628866
(3S,4S,5R)-5-phenyl-4-prop-2-enyloxolan-3-ol
CID 12996147
(1S)-1-[(2R,4aR,6S,7R,8aS)-7-[tert-butyl(dimethyl)silyl]oxy-4a,6-dimethyl-2-phenyl-4,7,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-6-yl]but-3-en-1-ol
CID 11419511

Frequently Asked Questions

What is the IUPAC name of [(2S,4R,5R)-5-methyl-2-phenyl-4-prop-2-enyl-1,3-dioxan-5-yl]methanol?
The IUPAC name of [(2S,4R,5R)-5-methyl-2-phenyl-4-prop-2-enyl-1,3-dioxan-5-yl]methanol (CID 11470665) is [(2S,4R,5R)-5-methyl-2-phenyl-4-prop-2-enyl-1,3-dioxan-5-yl]methanol.
What is the SMILES notation for [(2S,4R,5R)-5-methyl-2-phenyl-4-prop-2-enyl-1,3-dioxan-5-yl]methanol?
The canonical SMILES for [(2S,4R,5R)-5-methyl-2-phenyl-4-prop-2-enyl-1,3-dioxan-5-yl]methanol is C=CC[C@H]1O[C@@H](c2ccccc2)OC[C@@]1(C)CO.
What is the InChIKey of [(2S,4R,5R)-5-methyl-2-phenyl-4-prop-2-enyl-1,3-dioxan-5-yl]methanol?
The InChIKey is DOSOLRFWRGEUHN-QLFBSQMISA-N. The full InChI is InChI=1S/C15H20O3/c1-3-7-13-15(2,10-16)11-17-14(18-13)12-8-5-4-6-9-12/h3-6,8-9,13-14,16H,1,7,10-11H2,2H3/t13-,14+,15-/m1/s1.
What are the key properties of [(2S,4R,5R)-5-methyl-2-phenyl-4-prop-2-enyl-1,3-dioxan-5-yl]methanol?
[(2S,4R,5R)-5-methyl-2-phenyl-4-prop-2-enyl-1,3-dioxan-5-yl]methanol has a molecular weight of 248.32 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R,5R)-5-methyl-2-phenyl-4-prop-2-enyl-1,3-dioxan-5-yl]methanol is sourced from PubChem (CID 11470665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).