(6R,6aR,11aS)-3,6,9-trimethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene

C18H18O5 — CID 163025438

IUPAC(6R,6aR,11aS)-3,6,9-trimethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene
SMILESCOc1ccc2c(c1)O[C@@H]1c3ccc(OC)cc3O[C@@H](OC)[C@H]21
InChIInChI=1S/C18H18O5/c1-19-10-4-6-12-14(8-10)22-17-13-7-5-11(20-2)9-15(13)23-18(21-3)16(12)17/h4-9,16-18H,1-3H3/t16-,17-,18-/m1/s1
InChIKeyKGZXHPWOBPVKDK-KZNAEPCWSA-N
MW314.34 g/mol
LogP3.29
Rot. Bonds3

About (6R,6aR,11aS)-3,6,9-trimethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene

(6R,6aR,11aS)-3,6,9-trimethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene (PubChem CID 163025438) has the molecular formula C18H18O5 and a molecular weight of 314.34 g/mol. Its IUPAC name is (6R,6aR,11aS)-3,6,9-trimethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene.

Molecular Properties

Compound Name(6R,6aR,11aS)-3,6,9-trimethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene
PubChem CID163025438
Molecular FormulaC18H18O5
Molecular Weight314.34 g/mol
Exact Mass314.12
IUPAC Name(6R,6aR,11aS)-3,6,9-trimethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene
SMILESCOc1ccc2c(c1)O[C@@H]1c3ccc(OC)cc3O[C@@H](OC)[C@H]21
InChIInChI=1S/C18H18O5/c1-19-10-4-6-12-14(8-10)22-17-13-7-5-11(20-2)9-15(13)23-18(21-3)16(12)17/h4-9,16-18H,1-3H3/t16-,17-,18-/m1/s1
InChIKeyKGZXHPWOBPVKDK-KZNAEPCWSA-N
XLogP3.29
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (6R,6aR,11aS)-3,6,9-trimethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene with MolForge

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Related Compounds

(6aR,11aS)-9-methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-3-ol
CID 53298585
methyl (3S,3aS,4R,9bS)-7-methoxy-4-(4-methoxyphenyl)-2-oxo-3,3a,4,9b-tetrahydrofuro[3,2-c]chromene-3-carboxylate
CID 102289558
(4S)-7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-ol
CID 104948683
(4R)-7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-amine
CID 104944729
(2S,3S,4S)-2-(3,4-dimethoxyphenyl)-7-methoxy-3,4-dihydro-2H-chromene-3,4-diol
CID 14991958
(4R)-7-methoxy-2-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104944809
7-methoxy-2-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714285
(4R)-7-methoxy-2-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104944786
6-methoxy-2,3-dihydro-1-benzofuran-3-ol
CID 63096800
2-(3-hydroxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 114714377
(4S)-2-(2-bromophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104944590
2-benzyl-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 114708832

Frequently Asked Questions

What is the IUPAC name of (6R,6aR,11aS)-3,6,9-trimethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene?
The IUPAC name of (6R,6aR,11aS)-3,6,9-trimethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene (CID 163025438) is (6R,6aR,11aS)-3,6,9-trimethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene.
What is the SMILES notation for (6R,6aR,11aS)-3,6,9-trimethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene?
The canonical SMILES for (6R,6aR,11aS)-3,6,9-trimethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene is COc1ccc2c(c1)O[C@@H]1c3ccc(OC)cc3O[C@@H](OC)[C@H]21.
What is the InChIKey of (6R,6aR,11aS)-3,6,9-trimethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene?
The InChIKey is KGZXHPWOBPVKDK-KZNAEPCWSA-N. The full InChI is InChI=1S/C18H18O5/c1-19-10-4-6-12-14(8-10)22-17-13-7-5-11(20-2)9-15(13)23-18(21-3)16(12)17/h4-9,16-18H,1-3H3/t16-,17-,18-/m1/s1.
What are the key properties of (6R,6aR,11aS)-3,6,9-trimethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene?
(6R,6aR,11aS)-3,6,9-trimethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene has a molecular weight of 314.34 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,6aR,11aS)-3,6,9-trimethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene is sourced from PubChem (CID 163025438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).