7,7',10'-trihydroxy-4,4'-dimethoxyspiro[2H-cyclopenta[a]naphthalene-3,3'-naphtho[2,1-e][1]benzofuran]-1,2'-dione

C30H20O8 — CID 11964533

IUPAC7,7',10'-trihydroxy-4,4'-dimethoxyspiro[2H-cyclopenta[a]naphthalene-3,3'-naphtho[2,1-e][1]benzofuran]-1,2'-dione
SMILESCOc1cc2cc(O)ccc2c2c1C1(CC2=O)C(=O)Oc2cc(O)c3c(c(OC)cc4cc(O)ccc43)c21
InChIInChI=1S/C30H20O8/c1-36-21-9-13-7-15(31)3-5-17(13)24-19(33)11-23-28(26(21)24)30(29(35)38-23)12-20(34)25-18-6-4-16(32)8-14(18)10-22(37-2)27(25)30/h3-11,31-33H,12H2,1-2H3
InChIKeyUWWYZNJBKCPSCM-UHFFFAOYSA-N
MW508.48 g/mol
LogP5.07
Rot. Bonds2

About 7,7',10'-trihydroxy-4,4'-dimethoxyspiro[2H-cyclopenta[a]naphthalene-3,3'-naphtho[2,1-e][1]benzofuran]-1,2'-dione

7,7',10'-trihydroxy-4,4'-dimethoxyspiro[2H-cyclopenta[a]naphthalene-3,3'-naphtho[2,1-e][1]benzofuran]-1,2'-dione (PubChem CID 11964533) has the molecular formula C30H20O8 and a molecular weight of 508.48 g/mol. Its IUPAC name is 7,7',10'-trihydroxy-4,4'-dimethoxyspiro[2H-cyclopenta[a]naphthalene-3,3'-naphtho[2,1-e][1]benzofuran]-1,2'-dione.

Molecular Properties

Compound Name7,7',10'-trihydroxy-4,4'-dimethoxyspiro[2H-cyclopenta[a]naphthalene-3,3'-naphtho[2,1-e][1]benzofuran]-1,2'-dione
PubChem CID11964533
Molecular FormulaC30H20O8
Molecular Weight508.48 g/mol
Exact Mass508.12
IUPAC Name7,7',10'-trihydroxy-4,4'-dimethoxyspiro[2H-cyclopenta[a]naphthalene-3,3'-naphtho[2,1-e][1]benzofuran]-1,2'-dione
SMILESCOc1cc2cc(O)ccc2c2c1C1(CC2=O)C(=O)Oc2cc(O)c3c(c(OC)cc4cc(O)ccc43)c21
InChIInChI=1S/C30H20O8/c1-36-21-9-13-7-15(31)3-5-17(13)24-19(33)11-23-28(26(21)24)30(29(35)38-23)12-20(34)25-18-6-4-16(32)8-14(18)10-22(37-2)27(25)30/h3-11,31-33H,12H2,1-2H3
InChIKeyUWWYZNJBKCPSCM-UHFFFAOYSA-N
XLogP5.07
TPSA122.52 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.48
LogP ≤ 55.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7,7',10'-trihydroxy-4,4'-dimethoxyspiro[2H-cyclopenta[a]naphthalene-3,3'-naphtho[2,1-e][1]benzofuran]-1,2'-dione?
The IUPAC name of 7,7',10'-trihydroxy-4,4'-dimethoxyspiro[2H-cyclopenta[a]naphthalene-3,3'-naphtho[2,1-e][1]benzofuran]-1,2'-dione (CID 11964533) is 7,7',10'-trihydroxy-4,4'-dimethoxyspiro[2H-cyclopenta[a]naphthalene-3,3'-naphtho[2,1-e][1]benzofuran]-1,2'-dione.
What is the SMILES notation for 7,7',10'-trihydroxy-4,4'-dimethoxyspiro[2H-cyclopenta[a]naphthalene-3,3'-naphtho[2,1-e][1]benzofuran]-1,2'-dione?
The canonical SMILES for 7,7',10'-trihydroxy-4,4'-dimethoxyspiro[2H-cyclopenta[a]naphthalene-3,3'-naphtho[2,1-e][1]benzofuran]-1,2'-dione is COc1cc2cc(O)ccc2c2c1C1(CC2=O)C(=O)Oc2cc(O)c3c(c(OC)cc4cc(O)ccc43)c21.
What is the InChIKey of 7,7',10'-trihydroxy-4,4'-dimethoxyspiro[2H-cyclopenta[a]naphthalene-3,3'-naphtho[2,1-e][1]benzofuran]-1,2'-dione?
The InChIKey is UWWYZNJBKCPSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20O8/c1-36-21-9-13-7-15(31)3-5-17(13)24-19(33)11-23-28(26(21)24)30(29(35)38-23)12-20(34)25-18-6-4-16(32)8-14(18)10-22(37-2)27(25)30/h3-11,31-33H,12H2,1-2H3.
What are the key properties of 7,7',10'-trihydroxy-4,4'-dimethoxyspiro[2H-cyclopenta[a]naphthalene-3,3'-naphtho[2,1-e][1]benzofuran]-1,2'-dione?
7,7',10'-trihydroxy-4,4'-dimethoxyspiro[2H-cyclopenta[a]naphthalene-3,3'-naphtho[2,1-e][1]benzofuran]-1,2'-dione has a molecular weight of 508.48 g/mol, XLogP of 5.07, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7',10'-trihydroxy-4,4'-dimethoxyspiro[2H-cyclopenta[a]naphthalene-3,3'-naphtho[2,1-e][1]benzofuran]-1,2'-dione is sourced from PubChem (CID 11964533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).