(2R,3S,4S)-2-ethyl-5-iodo-3-methyl-4-phenylmethoxy-3,4-dihydro-2H-pyran

C15H19IO2 — CID 170420184

IUPAC(2R,3S,4S)-2-ethyl-5-iodo-3-methyl-4-phenylmethoxy-3,4-dihydro-2H-pyran
SMILESCC[C@H]1OC=C(I)[C@@H](OCc2ccccc2)[C@H]1C
InChIInChI=1S/C15H19IO2/c1-3-14-11(2)15(13(16)10-17-14)18-9-12-7-5-4-6-8-12/h4-8,10-11,14-15H,3,9H2,1-2H3/t11-,14+,15-/m0/s1
InChIKeyLIHHMAFUCMYXRU-GLQYFDAESA-N
MW358.22 g/mol
LogP4.29
Rot. Bonds4

About (2R,3S,4S)-2-ethyl-5-iodo-3-methyl-4-phenylmethoxy-3,4-dihydro-2H-pyran

(2R,3S,4S)-2-ethyl-5-iodo-3-methyl-4-phenylmethoxy-3,4-dihydro-2H-pyran (PubChem CID 170420184) has the molecular formula C15H19IO2 and a molecular weight of 358.22 g/mol. Its IUPAC name is (2R,3S,4S)-2-ethyl-5-iodo-3-methyl-4-phenylmethoxy-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name(2R,3S,4S)-2-ethyl-5-iodo-3-methyl-4-phenylmethoxy-3,4-dihydro-2H-pyran
PubChem CID170420184
Molecular FormulaC15H19IO2
Molecular Weight358.22 g/mol
Exact Mass358.04
IUPAC Name(2R,3S,4S)-2-ethyl-5-iodo-3-methyl-4-phenylmethoxy-3,4-dihydro-2H-pyran
SMILESCC[C@H]1OC=C(I)[C@@H](OCc2ccccc2)[C@H]1C
InChIInChI=1S/C15H19IO2/c1-3-14-11(2)15(13(16)10-17-14)18-9-12-7-5-4-6-8-12/h4-8,10-11,14-15H,3,9H2,1-2H3/t11-,14+,15-/m0/s1
InChIKeyLIHHMAFUCMYXRU-GLQYFDAESA-N
XLogP4.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.22
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran
CID 85318993
(2R,3S,4S,5S,6S)-2-ethyl-3-methyl-6-(2-methylpropyl)-4,5-bis(phenylmethoxy)oxane
CID 118175463
(2R,3R,5R)-5-ethyl-3-methyl-4-phenylmethoxyoxolan-2-ol
CID 121322520
(2R,3R,5S)-2-ethyl-5-fluoro-4-methyl-3-phenylmethoxyoxolane
CID 122695335
5-ethyl-3,4-bis(phenylmethoxy)oxolan-2-ol
CID 20743032
(3R,4S,5R,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-ol
CID 67471371
(2R,3R,6R)-2-ethyl-3,5-dimethyl-6-phenylmethoxy-3,6-dihydro-2H-pyran
CID 24805775
(3R,4S,5R,6R)-2-[bromo(fluoro)methylidene]-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxane
CID 70791266
(2R,3S,4S,5S,6S)-2-ethyl-3-methyl-6-(2-methylprop-2-enyl)-4,5-bis(phenylmethoxy)oxane
CID 118175464
(2R,3R,4S,5R,6R)-2-chloro-6-ethyl-3,4,5-tris(phenylmethoxy)oxane
CID 58242550
(2E)-2-[(3S,4S,5R,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-ylidene]acetic acid
CID 90441578
(2S,4R,5R)-2,4-diethyl-5-phenylmethoxy-1,3-dioxane
CID 70592950

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S)-2-ethyl-5-iodo-3-methyl-4-phenylmethoxy-3,4-dihydro-2H-pyran?
The IUPAC name of (2R,3S,4S)-2-ethyl-5-iodo-3-methyl-4-phenylmethoxy-3,4-dihydro-2H-pyran (CID 170420184) is (2R,3S,4S)-2-ethyl-5-iodo-3-methyl-4-phenylmethoxy-3,4-dihydro-2H-pyran.
What is the SMILES notation for (2R,3S,4S)-2-ethyl-5-iodo-3-methyl-4-phenylmethoxy-3,4-dihydro-2H-pyran?
The canonical SMILES for (2R,3S,4S)-2-ethyl-5-iodo-3-methyl-4-phenylmethoxy-3,4-dihydro-2H-pyran is CC[C@H]1OC=C(I)[C@@H](OCc2ccccc2)[C@H]1C.
What is the InChIKey of (2R,3S,4S)-2-ethyl-5-iodo-3-methyl-4-phenylmethoxy-3,4-dihydro-2H-pyran?
The InChIKey is LIHHMAFUCMYXRU-GLQYFDAESA-N. The full InChI is InChI=1S/C15H19IO2/c1-3-14-11(2)15(13(16)10-17-14)18-9-12-7-5-4-6-8-12/h4-8,10-11,14-15H,3,9H2,1-2H3/t11-,14+,15-/m0/s1.
What are the key properties of (2R,3S,4S)-2-ethyl-5-iodo-3-methyl-4-phenylmethoxy-3,4-dihydro-2H-pyran?
(2R,3S,4S)-2-ethyl-5-iodo-3-methyl-4-phenylmethoxy-3,4-dihydro-2H-pyran has a molecular weight of 358.22 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S)-2-ethyl-5-iodo-3-methyl-4-phenylmethoxy-3,4-dihydro-2H-pyran is sourced from PubChem (CID 170420184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).