[3,4-bis(phenylmethoxy)-3,4-dihydro-2H-pyran-2-yl]methanol;methane;[6-methoxy-3,4-bis(phenylmethoxy)oxan-2-yl]methanol

C43H56O9 — CID 161169848

IUPAC[3,4-bis(phenylmethoxy)-3,4-dihydro-2H-pyran-2-yl]methanol;methane;[6-methoxy-3,4-bis(phenylmethoxy)oxan-2-yl]methanol
SMILESC.C.COC1CC(OCc2ccccc2)C(OCc2ccccc2)C(CO)O1.OCC1OC=CC(OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C21H26O5.C20H22O4.2CH4/c1-23-20-12-18(24-14-16-8-4-2-5-9-16)21(19(13-22)26-20)25-15-17-10-6-3-7-11-17;21-13-19-20(24-15-17-9-5-2-6-10-17)18(11-12-22-19)23-14-16-7-3-1-4-8-16;;/h2-11,18-22H,12-15H2,1H3;1-12,18-21H,13-15H2;2*1H4
InChIKeyURAOXDRQDJYIAK-UHFFFAOYSA-N
MW716.91 g/mol
LogP7.25
Rot. Bonds15

About [3,4-bis(phenylmethoxy)-3,4-dihydro-2H-pyran-2-yl]methanol;methane;[6-methoxy-3,4-bis(phenylmethoxy)oxan-2-yl]methanol

[3,4-bis(phenylmethoxy)-3,4-dihydro-2H-pyran-2-yl]methanol;methane;[6-methoxy-3,4-bis(phenylmethoxy)oxan-2-yl]methanol (PubChem CID 161169848) has the molecular formula C43H56O9 and a molecular weight of 716.91 g/mol. Its IUPAC name is [3,4-bis(phenylmethoxy)-3,4-dihydro-2H-pyran-2-yl]methanol;methane;[6-methoxy-3,4-bis(phenylmethoxy)oxan-2-yl]methanol.

Molecular Properties

Compound Name[3,4-bis(phenylmethoxy)-3,4-dihydro-2H-pyran-2-yl]methanol;methane;[6-methoxy-3,4-bis(phenylmethoxy)oxan-2-yl]methanol
PubChem CID161169848
Molecular FormulaC43H56O9
Molecular Weight716.91 g/mol
Exact Mass716.39
IUPAC Name[3,4-bis(phenylmethoxy)-3,4-dihydro-2H-pyran-2-yl]methanol;methane;[6-methoxy-3,4-bis(phenylmethoxy)oxan-2-yl]methanol
SMILESC.C.COC1CC(OCc2ccccc2)C(OCc2ccccc2)C(CO)O1.OCC1OC=CC(OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C21H26O5.C20H22O4.2CH4/c1-23-20-12-18(24-14-16-8-4-2-5-9-16)21(19(13-22)26-20)25-15-17-10-6-3-7-11-17;21-13-19-20(24-15-17-9-5-2-6-10-17)18(11-12-22-19)23-14-16-7-3-1-4-8-16;;/h2-11,18-22H,12-15H2,1H3;1-12,18-21H,13-15H2;2*1H4
InChIKeyURAOXDRQDJYIAK-UHFFFAOYSA-N
XLogP7.25
TPSA105.07 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.91
LogP ≤ 57.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Launch Full Analysis

Related Compounds

[(2R,3R,4R)-3,4-bis(phenylmethoxy)-3,4-dihydro-2H-pyran-2-yl]methanol
CID 11186428
[(2R,3S,4R,6S)-6-methoxy-3-[(4-methoxyphenyl)methoxy]-4-phenylmethoxyoxan-2-yl]methanol
CID 56965248
[(2R,3S)-5-methoxy-3-phenylmethoxyoxolan-2-yl]methanol
CID 70448323
(2R,3R,4R,5S)-2-(methoxymethyl)-3,4,5-tris(phenylmethoxy)-2,3,4,5-tetrahydrooxepine
CID 102415995
(2R,3R,4S,5S)-7-methoxy-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)oxepane
CID 58940191
(2R,3S,4S)-2-methoxy-3,4-bis(phenylmethoxy)-3,4-dihydro-2H-pyran
CID 101413374
[(2R,3R,4R)-5-methoxy-3,4-bis(phenylmethoxy)oxolan-2-yl]methanol
CID 101100529
[(2R,3R,4S,5R,6S)-3,4,5-tris(phenylmethoxy)-6-[[(2R,3S,4R)-4-phenylmethoxy-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-3-yl]oxy]oxan-2-yl]methanol
CID 102122335
(2R,3R,4R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran
CID 2734741
[(2R,3R,4R,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol
CID 23245862
[(2S,3S,4R,5S,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol
CID 170405483
benzyl [(2R,3S,5S)-2-(hydroxymethyl)-5-methoxyoxolan-3-yl] carbonate
CID 102329507

Frequently Asked Questions

What is the IUPAC name of [3,4-bis(phenylmethoxy)-3,4-dihydro-2H-pyran-2-yl]methanol;methane;[6-methoxy-3,4-bis(phenylmethoxy)oxan-2-yl]methanol?
The IUPAC name of [3,4-bis(phenylmethoxy)-3,4-dihydro-2H-pyran-2-yl]methanol;methane;[6-methoxy-3,4-bis(phenylmethoxy)oxan-2-yl]methanol (CID 161169848) is [3,4-bis(phenylmethoxy)-3,4-dihydro-2H-pyran-2-yl]methanol;methane;[6-methoxy-3,4-bis(phenylmethoxy)oxan-2-yl]methanol.
What is the SMILES notation for [3,4-bis(phenylmethoxy)-3,4-dihydro-2H-pyran-2-yl]methanol;methane;[6-methoxy-3,4-bis(phenylmethoxy)oxan-2-yl]methanol?
The canonical SMILES for [3,4-bis(phenylmethoxy)-3,4-dihydro-2H-pyran-2-yl]methanol;methane;[6-methoxy-3,4-bis(phenylmethoxy)oxan-2-yl]methanol is C.C.COC1CC(OCc2ccccc2)C(OCc2ccccc2)C(CO)O1.OCC1OC=CC(OCc2ccccc2)C1OCc1ccccc1.
What is the InChIKey of [3,4-bis(phenylmethoxy)-3,4-dihydro-2H-pyran-2-yl]methanol;methane;[6-methoxy-3,4-bis(phenylmethoxy)oxan-2-yl]methanol?
The InChIKey is URAOXDRQDJYIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26O5.C20H22O4.2CH4/c1-23-20-12-18(24-14-16-8-4-2-5-9-16)21(19(13-22)26-20)25-15-17-10-6-3-7-11-17;21-13-19-20(24-15-17-9-5-2-6-10-17)18(11-12-22-19)23-14-16-7-3-1-4-8-16;;/h2-11,18-22H,12-15H2,1H3;1-12,18-21H,13-15H2;2*1H4.
What are the key properties of [3,4-bis(phenylmethoxy)-3,4-dihydro-2H-pyran-2-yl]methanol;methane;[6-methoxy-3,4-bis(phenylmethoxy)oxan-2-yl]methanol?
[3,4-bis(phenylmethoxy)-3,4-dihydro-2H-pyran-2-yl]methanol;methane;[6-methoxy-3,4-bis(phenylmethoxy)oxan-2-yl]methanol has a molecular weight of 716.91 g/mol, XLogP of 7.25, 15 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [3,4-bis(phenylmethoxy)-3,4-dihydro-2H-pyran-2-yl]methanol;methane;[6-methoxy-3,4-bis(phenylmethoxy)oxan-2-yl]methanol is sourced from PubChem (CID 161169848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).