(2S,3S)-2-methyl-3-phenylmethoxy-3,4-dihydro-2H-pyran

C13H16O2 — CID 102115662

IUPAC(2S,3S)-2-methyl-3-phenylmethoxy-3,4-dihydro-2H-pyran
SMILESC[C@@H]1OC=CC[C@@H]1OCc1ccccc1
InChIInChI=1S/C13H16O2/c1-11-13(8-5-9-14-11)15-10-12-6-3-2-4-7-12/h2-7,9,11,13H,8,10H2,1H3/t11-,13-/m0/s1
InChIKeyUUPGAYUHIGLNOT-AAEUAGOBSA-N
MW204.27 g/mol
LogP2.89
Rot. Bonds3

About (2S,3S)-2-methyl-3-phenylmethoxy-3,4-dihydro-2H-pyran

(2S,3S)-2-methyl-3-phenylmethoxy-3,4-dihydro-2H-pyran (PubChem CID 102115662) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is (2S,3S)-2-methyl-3-phenylmethoxy-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name(2S,3S)-2-methyl-3-phenylmethoxy-3,4-dihydro-2H-pyran
PubChem CID102115662
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name(2S,3S)-2-methyl-3-phenylmethoxy-3,4-dihydro-2H-pyran
SMILESC[C@@H]1OC=CC[C@@H]1OCc1ccccc1
InChIInChI=1S/C13H16O2/c1-11-13(8-5-9-14-11)15-10-12-6-3-2-4-7-12/h2-7,9,11,13H,8,10H2,1H3/t11-,13-/m0/s1
InChIKeyUUPGAYUHIGLNOT-AAEUAGOBSA-N
XLogP2.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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[(1S,5S,6S)-5,6-bis(phenylmethoxy)cyclohex-2-en-1-yl]-trimethylsilane
CID 134867155
azane;[(1R)-2-methylcyclopropyl]oxymethylbenzene
CID 66809677
(2R,3R,4R)-2,3-dimethyl-4-phenylmethoxy-3,4-dihydro-2H-pyran
CID 118517725
(2-methylcyclobutyl)oxymethylbenzene
CID 163589446
[(2S,3S,4R,5S,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol
CID 170405483
2-[(2S,3S,5S)-5-methyl-3-phenylmethoxyoxolan-2-yl]acetic acid
CID 23726629
(2S,3R)-2-methyl-3-phenylmethoxyazetidine
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CID 168960565
(5S)-6-methyl-4,5-bis(phenylmethoxy)oxan-2-ol
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CID 10042151

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-methyl-3-phenylmethoxy-3,4-dihydro-2H-pyran?
The IUPAC name of (2S,3S)-2-methyl-3-phenylmethoxy-3,4-dihydro-2H-pyran (CID 102115662) is (2S,3S)-2-methyl-3-phenylmethoxy-3,4-dihydro-2H-pyran.
What is the SMILES notation for (2S,3S)-2-methyl-3-phenylmethoxy-3,4-dihydro-2H-pyran?
The canonical SMILES for (2S,3S)-2-methyl-3-phenylmethoxy-3,4-dihydro-2H-pyran is C[C@@H]1OC=CC[C@@H]1OCc1ccccc1.
What is the InChIKey of (2S,3S)-2-methyl-3-phenylmethoxy-3,4-dihydro-2H-pyran?
The InChIKey is UUPGAYUHIGLNOT-AAEUAGOBSA-N. The full InChI is InChI=1S/C13H16O2/c1-11-13(8-5-9-14-11)15-10-12-6-3-2-4-7-12/h2-7,9,11,13H,8,10H2,1H3/t11-,13-/m0/s1.
What are the key properties of (2S,3S)-2-methyl-3-phenylmethoxy-3,4-dihydro-2H-pyran?
(2S,3S)-2-methyl-3-phenylmethoxy-3,4-dihydro-2H-pyran has a molecular weight of 204.27 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-methyl-3-phenylmethoxy-3,4-dihydro-2H-pyran is sourced from PubChem (CID 102115662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).