(2S,6R)-2,6-dimethoxy-5-phenyl-3,6-dihydro-2H-pyran

C13H16O3 — CID 102378415

IUPAC(2S,6R)-2,6-dimethoxy-5-phenyl-3,6-dihydro-2H-pyran
SMILESCO[C@@H]1CC=C(c2ccccc2)[C@H](OC)O1
InChIInChI=1S/C13H16O3/c1-14-12-9-8-11(13(15-2)16-12)10-6-4-3-5-7-10/h3-8,12-13H,9H2,1-2H3/t12-,13+/m0/s1
InChIKeyPNKYYGHDYHBGCL-QWHCGFSZSA-N
MW220.27 g/mol
LogP2.44
Rot. Bonds3

About (2S,6R)-2,6-dimethoxy-5-phenyl-3,6-dihydro-2H-pyran

(2S,6R)-2,6-dimethoxy-5-phenyl-3,6-dihydro-2H-pyran (PubChem CID 102378415) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is (2S,6R)-2,6-dimethoxy-5-phenyl-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name(2S,6R)-2,6-dimethoxy-5-phenyl-3,6-dihydro-2H-pyran
PubChem CID102378415
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name(2S,6R)-2,6-dimethoxy-5-phenyl-3,6-dihydro-2H-pyran
SMILESCO[C@@H]1CC=C(c2ccccc2)[C@H](OC)O1
InChIInChI=1S/C13H16O3/c1-14-12-9-8-11(13(15-2)16-12)10-6-4-3-5-7-10/h3-8,12-13H,9H2,1-2H3/t12-,13+/m0/s1
InChIKeyPNKYYGHDYHBGCL-QWHCGFSZSA-N
XLogP2.44
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methylcyclobuten-1-yl)benzene
CID 173414108
(1R,5R)-2,6-diphenylbicyclo[3.3.2]deca-2,6-diene
CID 102399204
(4-hydroperoxycyclobuten-1-yl)benzene
CID 71399609
(1R,5S,6R,7R)-5,6,7-trimethyl-4-phenylcyclohept-3-en-1-ol
CID 130290357
2-methoxy-3,4-diphenyl-2H-furan-5-one
CID 12691708
(4-iodo-6-phenylcyclohexen-1-yl)benzene
CID 89170851
(1S)-1-[(6S)-2-methoxy-6-methyl-3,6-dihydro-2H-pyran-5-yl]ethanol
CID 23726589
(3aR,6R,7aS)-6-methoxy-2-phenyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-1-ium
CID 135010598
sulfur dioxide;(4R,5S,6S,7S)-4,5,6,7-tetramethyl-1-phenylcycloheptene
CID 159799333
4-[(2S,6R)-2,6-dimethoxyoxan-4-yl]-2H-furan-5-one
CID 162885464
2-phenylcyclobut-2-ene-1-sulfinate
CID 174587198
2-phenylcyclobut-2-ene-1-carbonyl chloride
CID 141041006

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2,6-dimethoxy-5-phenyl-3,6-dihydro-2H-pyran?
The IUPAC name of (2S,6R)-2,6-dimethoxy-5-phenyl-3,6-dihydro-2H-pyran (CID 102378415) is (2S,6R)-2,6-dimethoxy-5-phenyl-3,6-dihydro-2H-pyran.
What is the SMILES notation for (2S,6R)-2,6-dimethoxy-5-phenyl-3,6-dihydro-2H-pyran?
The canonical SMILES for (2S,6R)-2,6-dimethoxy-5-phenyl-3,6-dihydro-2H-pyran is CO[C@@H]1CC=C(c2ccccc2)[C@H](OC)O1.
What is the InChIKey of (2S,6R)-2,6-dimethoxy-5-phenyl-3,6-dihydro-2H-pyran?
The InChIKey is PNKYYGHDYHBGCL-QWHCGFSZSA-N. The full InChI is InChI=1S/C13H16O3/c1-14-12-9-8-11(13(15-2)16-12)10-6-4-3-5-7-10/h3-8,12-13H,9H2,1-2H3/t12-,13+/m0/s1.
What are the key properties of (2S,6R)-2,6-dimethoxy-5-phenyl-3,6-dihydro-2H-pyran?
(2S,6R)-2,6-dimethoxy-5-phenyl-3,6-dihydro-2H-pyran has a molecular weight of 220.27 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2,6-dimethoxy-5-phenyl-3,6-dihydro-2H-pyran is sourced from PubChem (CID 102378415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).