(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

C24H28O6 — CID 163055925

IUPAC(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
SMILESCOc1ccc2c(c1)[C@H](O)[C@H]([C@@H]1COc3ccc(OC4CCCC4)cc3[C@H]1O)CO2
InChIInChI=1S/C24H28O6/c1-27-15-6-8-21-17(10-15)23(25)19(12-28-21)20-13-29-22-9-7-16(11-18(22)24(20)26)30-14-4-2-3-5-14/h6-11,14,19-20,23-26H,2-5,12-13H2,1H3/t19-,20-,23-,24+/m0/s1
InChIKeyBKXFJODAEBHQRW-NVXDSCFRSA-N
MW412.48 g/mol
LogP3.80
Rot. Bonds4

About (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

(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 (PubChem CID 163055925) has the molecular formula C24H28O6 and a molecular weight of 412.48 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID163055925
Molecular FormulaC24H28O6
Molecular Weight412.48 g/mol
Exact Mass412.19
IUPAC Name(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
SMILESCOc1ccc2c(c1)[C@H](O)[C@H]([C@@H]1COc3ccc(OC4CCCC4)cc3[C@H]1O)CO2
InChIInChI=1S/C24H28O6/c1-27-15-6-8-21-17(10-15)23(25)19(12-28-21)20-13-29-22-9-7-16(11-18(22)24(20)26)30-14-4-2-3-5-14/h6-11,14,19-20,23-26H,2-5,12-13H2,1H3/t19-,20-,23-,24+/m0/s1
InChIKeyBKXFJODAEBHQRW-NVXDSCFRSA-N
XLogP3.80
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.48
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (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 with MolForge

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Related Compounds

(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
(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
(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
(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
(3S,4S)-6-cyclopentyloxy-8-[[4-ethyl-5-hydroxy-2-(3-hydroxyphenyl)phenyl]methyl]-3-[(3R,4R)-4-hydroxy-6-methoxy-3,4-dihydro-2H-chromen-3-yl]-3,4-dihydro-2H-chromen-4-ol
CID 162835552
(3S,4S)-6-cyclopentyloxy-3-[(3R,4R)-6-cyclopentyloxy-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]-8-[[5-hydroxy-2-(3-hydroxyphenyl)phenyl]methyl]-3,4-dihydro-2H-chromen-4-ol
CID 162831766
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
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)-3-(difluoromethyl)-5-methoxy-2,3-dihydro-1-benzofuran
CID 125488470
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 (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is COc1ccc2c(c1)[C@H](O)[C@H]([C@@H]1COc3ccc(OC4CCCC4)cc3[C@H]1O)CO2.
What is the InChIKey of (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?
The InChIKey is BKXFJODAEBHQRW-NVXDSCFRSA-N. The full InChI is InChI=1S/C24H28O6/c1-27-15-6-8-21-17(10-15)23(25)19(12-28-21)20-13-29-22-9-7-16(11-18(22)24(20)26)30-14-4-2-3-5-14/h6-11,14,19-20,23-26H,2-5,12-13H2,1H3/t19-,20-,23-,24+/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 412.48 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 163055925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).