2-ethoxy-6-methyl-4-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran

C16H22O3 — CID 11402786

IUPAC2-ethoxy-6-methyl-4-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran
SMILESCCOC1CC(COCc2ccccc2)C=C(C)O1
InChIInChI=1S/C16H22O3/c1-3-18-16-10-15(9-13(2)19-16)12-17-11-14-7-5-4-6-8-14/h4-9,15-16H,3,10-12H2,1-2H3
InChIKeyQWHGCFNVPGOQIF-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.51
Rot. Bonds6

About 2-ethoxy-6-methyl-4-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran

2-ethoxy-6-methyl-4-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran (PubChem CID 11402786) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-ethoxy-6-methyl-4-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name2-ethoxy-6-methyl-4-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran
PubChem CID11402786
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name2-ethoxy-6-methyl-4-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran
SMILESCCOC1CC(COCc2ccccc2)C=C(C)O1
InChIInChI=1S/C16H22O3/c1-3-18-16-10-15(9-13(2)19-16)12-17-11-14-7-5-4-6-8-14/h4-9,15-16H,3,10-12H2,1-2H3
InChIKeyQWHGCFNVPGOQIF-UHFFFAOYSA-N
XLogP3.51
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(213C)ethoxymethylbenzene
CID 87947851
ethyl (2R)-2-(phenylmethoxymethyl)cyclopropane-1-carboxylate
CID 166815122
2,4,5-trimethyl-3-phenylmethoxy-6-(phenylmethoxymethyl)oxane
CID 71099139
cis-ethyl (1R,2R)-2-(phenylmethoxymethyl)cyclopropane-1-carboxylate
CID 11470338
(3R)-2-ethyl-3-(phenylmethoxymethyl)oxirane
CID 165104713
(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolane
CID 14020682
(3S,4R,5R)-3-fluoro-2-methyl-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane
CID 130316791
(2S,3S)-5-ethoxy-3-methyl-2-(6-phenylmethoxyhexyl)oxolane
CID 101462232
(1S,2S,3S,4R)-2,3-bis(phenylmethoxymethyl)bicyclo[2.1.0]pentane
CID 166976209
(2R,4S,6R)-2-methyl-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-4-amine
CID 118563862
(2R,3R,4R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-6-carbonitrile
CID 132555832
(3S,4S,6S)-4,6-dimethyl-5-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-ol
CID 126550257

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-methyl-4-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran?
The IUPAC name of 2-ethoxy-6-methyl-4-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran (CID 11402786) is 2-ethoxy-6-methyl-4-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran.
What is the SMILES notation for 2-ethoxy-6-methyl-4-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran?
The canonical SMILES for 2-ethoxy-6-methyl-4-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran is CCOC1CC(COCc2ccccc2)C=C(C)O1.
What is the InChIKey of 2-ethoxy-6-methyl-4-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran?
The InChIKey is QWHGCFNVPGOQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-3-18-16-10-15(9-13(2)19-16)12-17-11-14-7-5-4-6-8-14/h4-9,15-16H,3,10-12H2,1-2H3.
What are the key properties of 2-ethoxy-6-methyl-4-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran?
2-ethoxy-6-methyl-4-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran has a molecular weight of 262.35 g/mol, XLogP of 3.51, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-methyl-4-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran is sourced from PubChem (CID 11402786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).