(6aR,8S,9R,11aR)-8,9-dimethoxy-6a,8,9,11a-tetrahydro-6H-[1]benzofuro[3,2-c]chromen-3-ol

C17H18O5 — CID 162901698

IUPAC(6aR,8S,9R,11aR)-8,9-dimethoxy-6a,8,9,11a-tetrahydro-6H-[1]benzofuro[3,2-c]chromen-3-ol
SMILESCO[C@H]1C=C2C(=C[C@H]1OC)O[C@H]1c3ccc(O)cc3OC[C@@H]21
InChIInChI=1S/C17H18O5/c1-19-15-6-11-12-8-21-13-5-9(18)3-4-10(13)17(12)22-14(11)7-16(15)20-2/h3-7,12,15-18H,8H2,1-2H3/t12-,15-,16+,17-/m0/s1
InChIKeyPHAZBDHYCAMGFB-SJWGOKEGSA-N
MW302.33 g/mol
LogP2.33
Rot. Bonds2

About (6aR,8S,9R,11aR)-8,9-dimethoxy-6a,8,9,11a-tetrahydro-6H-[1]benzofuro[3,2-c]chromen-3-ol

(6aR,8S,9R,11aR)-8,9-dimethoxy-6a,8,9,11a-tetrahydro-6H-[1]benzofuro[3,2-c]chromen-3-ol (PubChem CID 162901698) has the molecular formula C17H18O5 and a molecular weight of 302.33 g/mol. Its IUPAC name is (6aR,8S,9R,11aR)-8,9-dimethoxy-6a,8,9,11a-tetrahydro-6H-[1]benzofuro[3,2-c]chromen-3-ol.

Molecular Properties

Compound Name(6aR,8S,9R,11aR)-8,9-dimethoxy-6a,8,9,11a-tetrahydro-6H-[1]benzofuro[3,2-c]chromen-3-ol
PubChem CID162901698
Molecular FormulaC17H18O5
Molecular Weight302.33 g/mol
Exact Mass302.12
IUPAC Name(6aR,8S,9R,11aR)-8,9-dimethoxy-6a,8,9,11a-tetrahydro-6H-[1]benzofuro[3,2-c]chromen-3-ol
SMILESCO[C@H]1C=C2C(=C[C@H]1OC)O[C@H]1c3ccc(O)cc3OC[C@@H]21
InChIInChI=1S/C17H18O5/c1-19-15-6-11-12-8-21-13-5-9(18)3-4-10(13)17(12)22-14(11)7-16(15)20-2/h3-7,12,15-18H,8H2,1-2H3/t12-,15-,16+,17-/m0/s1
InChIKeyPHAZBDHYCAMGFB-SJWGOKEGSA-N
XLogP2.33
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6aR,8S,9R,11aR)-8,9-dimethoxy-6a,8,9,11a-tetrahydro-6H-[1]benzofuro[3,2-c]chromen-3-ol?
The IUPAC name of (6aR,8S,9R,11aR)-8,9-dimethoxy-6a,8,9,11a-tetrahydro-6H-[1]benzofuro[3,2-c]chromen-3-ol (CID 162901698) is (6aR,8S,9R,11aR)-8,9-dimethoxy-6a,8,9,11a-tetrahydro-6H-[1]benzofuro[3,2-c]chromen-3-ol.
What is the SMILES notation for (6aR,8S,9R,11aR)-8,9-dimethoxy-6a,8,9,11a-tetrahydro-6H-[1]benzofuro[3,2-c]chromen-3-ol?
The canonical SMILES for (6aR,8S,9R,11aR)-8,9-dimethoxy-6a,8,9,11a-tetrahydro-6H-[1]benzofuro[3,2-c]chromen-3-ol is CO[C@H]1C=C2C(=C[C@H]1OC)O[C@H]1c3ccc(O)cc3OC[C@@H]21.
What is the InChIKey of (6aR,8S,9R,11aR)-8,9-dimethoxy-6a,8,9,11a-tetrahydro-6H-[1]benzofuro[3,2-c]chromen-3-ol?
The InChIKey is PHAZBDHYCAMGFB-SJWGOKEGSA-N. The full InChI is InChI=1S/C17H18O5/c1-19-15-6-11-12-8-21-13-5-9(18)3-4-10(13)17(12)22-14(11)7-16(15)20-2/h3-7,12,15-18H,8H2,1-2H3/t12-,15-,16+,17-/m0/s1.
What are the key properties of (6aR,8S,9R,11aR)-8,9-dimethoxy-6a,8,9,11a-tetrahydro-6H-[1]benzofuro[3,2-c]chromen-3-ol?
(6aR,8S,9R,11aR)-8,9-dimethoxy-6a,8,9,11a-tetrahydro-6H-[1]benzofuro[3,2-c]chromen-3-ol has a molecular weight of 302.33 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR,8S,9R,11aR)-8,9-dimethoxy-6a,8,9,11a-tetrahydro-6H-[1]benzofuro[3,2-c]chromen-3-ol is sourced from PubChem (CID 162901698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).