(1R,2R)-2-[(3S,4S)-4-hydroxy-6-methoxy-3,4-dihydro-2H-chromen-3-yl]-1,2,3,8,9,10-hexahydropyrano[3,2-f]chromen-1-ol

C22H24O6 — CID 162925177

IUPAC(1R,2R)-2-[(3S,4S)-4-hydroxy-6-methoxy-3,4-dihydro-2H-chromen-3-yl]-1,2,3,8,9,10-hexahydropyrano[3,2-f]chromen-1-ol
SMILESCOc1ccc2c(c1)[C@@H](O)[C@@H]([C@@H]1COc3ccc4c(c3[C@@H]1O)CCCO4)CO2
InChIInChI=1S/C22H24O6/c1-25-12-4-5-18-14(9-12)21(23)15(10-27-18)16-11-28-19-7-6-17-13(3-2-8-26-17)20(19)22(16)24/h4-7,9,15-16,21-24H,2-3,8,10-11H2,1H3/t15-,16+,21-,22-/m1/s1
InChIKeyAYFYREJCCXAGKG-FHTPNYMGSA-N
MW384.43 g/mol
LogP2.80
Rot. Bonds2

About (1R,2R)-2-[(3S,4S)-4-hydroxy-6-methoxy-3,4-dihydro-2H-chromen-3-yl]-1,2,3,8,9,10-hexahydropyrano[3,2-f]chromen-1-ol

(1R,2R)-2-[(3S,4S)-4-hydroxy-6-methoxy-3,4-dihydro-2H-chromen-3-yl]-1,2,3,8,9,10-hexahydropyrano[3,2-f]chromen-1-ol (PubChem CID 162925177) has the molecular formula C22H24O6 and a molecular weight of 384.43 g/mol. Its IUPAC name is (1R,2R)-2-[(3S,4S)-4-hydroxy-6-methoxy-3,4-dihydro-2H-chromen-3-yl]-1,2,3,8,9,10-hexahydropyrano[3,2-f]chromen-1-ol.

Molecular Properties

Compound Name(1R,2R)-2-[(3S,4S)-4-hydroxy-6-methoxy-3,4-dihydro-2H-chromen-3-yl]-1,2,3,8,9,10-hexahydropyrano[3,2-f]chromen-1-ol
PubChem CID162925177
Molecular FormulaC22H24O6
Molecular Weight384.43 g/mol
Exact Mass384.16
IUPAC Name(1R,2R)-2-[(3S,4S)-4-hydroxy-6-methoxy-3,4-dihydro-2H-chromen-3-yl]-1,2,3,8,9,10-hexahydropyrano[3,2-f]chromen-1-ol
SMILESCOc1ccc2c(c1)[C@@H](O)[C@@H]([C@@H]1COc3ccc4c(c3[C@@H]1O)CCCO4)CO2
InChIInChI=1S/C22H24O6/c1-25-12-4-5-18-14(9-12)21(23)15(10-27-18)16-11-28-19-7-6-17-13(3-2-8-26-17)20(19)22(16)24/h4-7,9,15-16,21-24H,2-3,8,10-11H2,1H3/t15-,16+,21-,22-/m1/s1
InChIKeyAYFYREJCCXAGKG-FHTPNYMGSA-N
XLogP2.80
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (1R,2R)-2-[(3S,4S)-4-hydroxy-6-methoxy-3,4-dihydro-2H-chromen-3-yl]-1,2,3,8,9,10-hexahydropyrano[3,2-f]chromen-1-ol with MolForge

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Launch Full Analysis

Related Compounds

(1R,2S)-2-[(3S,4S)-4-hydroxy-6-methoxy-3,4-dihydro-2H-chromen-3-yl]-1,2,3,8,9,10-hexahydropyrano[3,2-f]chromen-1-ol
CID 162925178
(3R,4R)-3-[(3R,4S)-6-cyclopentyloxy-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 163055925
7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 43153234
5-methoxy-3-methyl-2,3-dihydro-1-benzofuran
CID 102492939
9-methoxy-2,3,4,4a,5,10b-hexahydro-1H-chromeno[4,3-b]pyridine
CID 83888852
(7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)hydrazine
CID 82241529
5-methoxy-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine
CID 43511932
6-methoxy-2,3-dihydro-1-benzofuran-3-ol
CID 63096800
(3R,4R)-3-[(3R,4S)-6-cyclopentyloxy-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]-7-(3-hydroxypropyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 162924053
(3R)-3-(difluoromethyl)-5-methoxy-2,3-dihydro-1-benzofuran
CID 125488470
(3S,4S)-3-[(3R,4R)-4-[2-(2-amino-4-pyridinyl)ethoxy]-6-methoxy-3,4-dihydro-2H-chromen-3-yl]-6-cyclopentyloxy-3,4-dihydro-2H-chromen-4-ol
CID 162791818
8-[[4-ethyl-5-hydroxy-2-(3-hydroxyphenyl)phenyl]methyl]-3-(4-hydroxy-6-methoxy-3,4-dihydro-2H-chromen-3-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 162836633

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-2-[(3S,4S)-4-hydroxy-6-methoxy-3,4-dihydro-2H-chromen-3-yl]-1,2,3,8,9,10-hexahydropyrano[3,2-f]chromen-1-ol?
The IUPAC name of (1R,2R)-2-[(3S,4S)-4-hydroxy-6-methoxy-3,4-dihydro-2H-chromen-3-yl]-1,2,3,8,9,10-hexahydropyrano[3,2-f]chromen-1-ol (CID 162925177) is (1R,2R)-2-[(3S,4S)-4-hydroxy-6-methoxy-3,4-dihydro-2H-chromen-3-yl]-1,2,3,8,9,10-hexahydropyrano[3,2-f]chromen-1-ol.
What is the SMILES notation for (1R,2R)-2-[(3S,4S)-4-hydroxy-6-methoxy-3,4-dihydro-2H-chromen-3-yl]-1,2,3,8,9,10-hexahydropyrano[3,2-f]chromen-1-ol?
The canonical SMILES for (1R,2R)-2-[(3S,4S)-4-hydroxy-6-methoxy-3,4-dihydro-2H-chromen-3-yl]-1,2,3,8,9,10-hexahydropyrano[3,2-f]chromen-1-ol is COc1ccc2c(c1)[C@@H](O)[C@@H]([C@@H]1COc3ccc4c(c3[C@@H]1O)CCCO4)CO2.
What is the InChIKey of (1R,2R)-2-[(3S,4S)-4-hydroxy-6-methoxy-3,4-dihydro-2H-chromen-3-yl]-1,2,3,8,9,10-hexahydropyrano[3,2-f]chromen-1-ol?
The InChIKey is AYFYREJCCXAGKG-FHTPNYMGSA-N. The full InChI is InChI=1S/C22H24O6/c1-25-12-4-5-18-14(9-12)21(23)15(10-27-18)16-11-28-19-7-6-17-13(3-2-8-26-17)20(19)22(16)24/h4-7,9,15-16,21-24H,2-3,8,10-11H2,1H3/t15-,16+,21-,22-/m1/s1.
What are the key properties of (1R,2R)-2-[(3S,4S)-4-hydroxy-6-methoxy-3,4-dihydro-2H-chromen-3-yl]-1,2,3,8,9,10-hexahydropyrano[3,2-f]chromen-1-ol?
(1R,2R)-2-[(3S,4S)-4-hydroxy-6-methoxy-3,4-dihydro-2H-chromen-3-yl]-1,2,3,8,9,10-hexahydropyrano[3,2-f]chromen-1-ol has a molecular weight of 384.43 g/mol, XLogP of 2.80, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-2-[(3S,4S)-4-hydroxy-6-methoxy-3,4-dihydro-2H-chromen-3-yl]-1,2,3,8,9,10-hexahydropyrano[3,2-f]chromen-1-ol is sourced from PubChem (CID 162925177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).