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

C16H14O3 — CID 53473463

IUPAC(6aS,11aS)-9-methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene
SMILESCOc1ccc2c(c1)O[C@@H]1c3ccccc3OC[C@H]21
InChIInChI=1S/C16H14O3/c1-17-10-6-7-11-13-9-18-14-5-3-2-4-12(14)16(13)19-15(11)8-10/h2-8,13,16H,9H2,1H3/t13-,16-/m1/s1
InChIKeyISNRMYJISDGWTH-CZUORRHYSA-N
MW254.29 g/mol
LogP3.30
Rot. Bonds1

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

(6aS,11aS)-9-methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene (PubChem CID 53473463) has the molecular formula C16H14O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is (6aS,11aS)-9-methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene.

Molecular Properties

Compound Name(6aS,11aS)-9-methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene
PubChem CID53473463
Molecular FormulaC16H14O3
Molecular Weight254.29 g/mol
Exact Mass254.09
IUPAC Name(6aS,11aS)-9-methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene
SMILESCOc1ccc2c(c1)O[C@@H]1c3ccccc3OC[C@H]21
InChIInChI=1S/C16H14O3/c1-17-10-6-7-11-13-9-18-14-5-3-2-4-12(14)16(13)19-15(11)8-10/h2-8,13,16H,9H2,1H3/t13-,16-/m1/s1
InChIKeyISNRMYJISDGWTH-CZUORRHYSA-N
XLogP3.30
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6aS,11aS)-9-methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene?
The IUPAC name of (6aS,11aS)-9-methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene (CID 53473463) is (6aS,11aS)-9-methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene.
What is the SMILES notation for (6aS,11aS)-9-methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene?
The canonical SMILES for (6aS,11aS)-9-methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene is COc1ccc2c(c1)O[C@@H]1c3ccccc3OC[C@H]21.
What is the InChIKey of (6aS,11aS)-9-methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene?
The InChIKey is ISNRMYJISDGWTH-CZUORRHYSA-N. The full InChI is InChI=1S/C16H14O3/c1-17-10-6-7-11-13-9-18-14-5-3-2-4-12(14)16(13)19-15(11)8-10/h2-8,13,16H,9H2,1H3/t13-,16-/m1/s1.
What are the key properties of (6aS,11aS)-9-methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene?
(6aS,11aS)-9-methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene has a molecular weight of 254.29 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6aS,11aS)-9-methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene is sourced from PubChem (CID 53473463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).