(2R,3S)-3-ethenyl-2-phenyl-3-phenylmethoxy-2,6-dihydropyran

C20H20O2 — CID 101083176

IUPAC(2R,3S)-3-ethenyl-2-phenyl-3-phenylmethoxy-2,6-dihydropyran
SMILESC=C[C@]1(OCc2ccccc2)C=CCO[C@@H]1c1ccccc1
InChIInChI=1S/C20H20O2/c1-2-20(22-16-17-10-5-3-6-11-17)14-9-15-21-19(20)18-12-7-4-8-13-18/h2-14,19H,1,15-16H2/t19-,20+/m1/s1
InChIKeyHFNVUXFAWPGISU-UXHICEINSA-N
MW292.38 g/mol
LogP4.46
Rot. Bonds5

About (2R,3S)-3-ethenyl-2-phenyl-3-phenylmethoxy-2,6-dihydropyran

(2R,3S)-3-ethenyl-2-phenyl-3-phenylmethoxy-2,6-dihydropyran (PubChem CID 101083176) has the molecular formula C20H20O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is (2R,3S)-3-ethenyl-2-phenyl-3-phenylmethoxy-2,6-dihydropyran.

Molecular Properties

Compound Name(2R,3S)-3-ethenyl-2-phenyl-3-phenylmethoxy-2,6-dihydropyran
PubChem CID101083176
Molecular FormulaC20H20O2
Molecular Weight292.38 g/mol
Exact Mass292.15
IUPAC Name(2R,3S)-3-ethenyl-2-phenyl-3-phenylmethoxy-2,6-dihydropyran
SMILESC=C[C@]1(OCc2ccccc2)C=CCO[C@@H]1c1ccccc1
InChIInChI=1S/C20H20O2/c1-2-20(22-16-17-10-5-3-6-11-17)14-9-15-21-19(20)18-12-7-4-8-13-18/h2-14,19H,1,15-16H2/t19-,20+/m1/s1
InChIKeyHFNVUXFAWPGISU-UXHICEINSA-N
XLogP4.46
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S,3S)-3-ethenyl-2-methyl-3-phenylmethoxy-2,6-dihydropyran
CID 10775823
(2S,3S)-3-ethenyl-2-methyl-3-prop-2-enoxy-2,6-dihydropyran
CID 10535383
(2S)-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran
CID 46862703
(2R)-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran
CID 130750045
1-phenylmethoxy-2,6-dioxabicyclo[3.2.1]octane
CID 54302895
5-ethenyl-2-ethoxy-5-phenylmethoxycyclohexa-1,3-diene
CID 139881236
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453
2-[3-[3-(oxiran-2-yl)-5-phenylmethoxypent-1-en-3-yl]oxy-5-phenylmethoxypent-1-en-3-yl]oxirane
CID 139632113
trans-(2S,4S)-2-ethenyl-2-phenylmethoxy-4-(phenylmethoxymethyl)cyclopentan-1-one
CID 102184319
2-phenyloxirane;3-prop-2-enoxyprop-1-ene
CID 87729483
[(2S,3S)-3-ethenyl-3-(phenylmethoxymethyl)oxiran-2-yl]methanol
CID 11746143
(2R,3R,4R,4aS,9aS)-2-ethenyl-4-phenylmethoxy-3-prop-2-enoxy-3,4,4a,6,9,9a-hexahydro-2H-pyrano[3,2-b]oxepine
CID 11824069

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-ethenyl-2-phenyl-3-phenylmethoxy-2,6-dihydropyran?
The IUPAC name of (2R,3S)-3-ethenyl-2-phenyl-3-phenylmethoxy-2,6-dihydropyran (CID 101083176) is (2R,3S)-3-ethenyl-2-phenyl-3-phenylmethoxy-2,6-dihydropyran.
What is the SMILES notation for (2R,3S)-3-ethenyl-2-phenyl-3-phenylmethoxy-2,6-dihydropyran?
The canonical SMILES for (2R,3S)-3-ethenyl-2-phenyl-3-phenylmethoxy-2,6-dihydropyran is C=C[C@]1(OCc2ccccc2)C=CCO[C@@H]1c1ccccc1.
What is the InChIKey of (2R,3S)-3-ethenyl-2-phenyl-3-phenylmethoxy-2,6-dihydropyran?
The InChIKey is HFNVUXFAWPGISU-UXHICEINSA-N. The full InChI is InChI=1S/C20H20O2/c1-2-20(22-16-17-10-5-3-6-11-17)14-9-15-21-19(20)18-12-7-4-8-13-18/h2-14,19H,1,15-16H2/t19-,20+/m1/s1.
What are the key properties of (2R,3S)-3-ethenyl-2-phenyl-3-phenylmethoxy-2,6-dihydropyran?
(2R,3S)-3-ethenyl-2-phenyl-3-phenylmethoxy-2,6-dihydropyran has a molecular weight of 292.38 g/mol, XLogP of 4.46, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-ethenyl-2-phenyl-3-phenylmethoxy-2,6-dihydropyran is sourced from PubChem (CID 101083176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).