7-hydroxy-8,8-dimethylphenaleno[1,2-c]furan-1,10-dione

C34H24O8 — CID 139181722

IUPAC7-hydroxy-8,8-dimethylphenaleno[1,2-c]furan-1,10-dione
SMILESCC1(C)OC(=O)c2c1c(O)c1cccc3c1c2C(=O)C=C3.CC1(C)OC(=O)c2c1c(O)c1cccc3c1c2C(=O)C=C3
InChIInChI=1S/2C17H12O4/c2*1-17(2)14-13(16(20)21-17)12-10(18)7-6-8-4-3-5-9(11(8)12)15(14)19/h2*3-7,19H,1-2H3
InChIKeyRBZQSMQJKMASHP-UHFFFAOYSA-N
MW560.56 g/mol
LogP6.32
Rot. Bonds

About 7-hydroxy-8,8-dimethylphenaleno[1,2-c]furan-1,10-dione

7-hydroxy-8,8-dimethylphenaleno[1,2-c]furan-1,10-dione (PubChem CID 139181722) has the molecular formula C34H24O8 and a molecular weight of 560.56 g/mol. Its IUPAC name is 7-hydroxy-8,8-dimethylphenaleno[1,2-c]furan-1,10-dione.

Molecular Properties

Compound Name7-hydroxy-8,8-dimethylphenaleno[1,2-c]furan-1,10-dione
PubChem CID139181722
Molecular FormulaC34H24O8
Molecular Weight560.56 g/mol
Exact Mass560.15
IUPAC Name7-hydroxy-8,8-dimethylphenaleno[1,2-c]furan-1,10-dione
SMILESCC1(C)OC(=O)c2c1c(O)c1cccc3c1c2C(=O)C=C3.CC1(C)OC(=O)c2c1c(O)c1cccc3c1c2C(=O)C=C3
InChIInChI=1S/2C17H12O4/c2*1-17(2)14-13(16(20)21-17)12-10(18)7-6-8-4-3-5-9(11(8)12)15(14)19/h2*3-7,19H,1-2H3
InChIKeyRBZQSMQJKMASHP-UHFFFAOYSA-N
XLogP6.32
TPSA127.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.56
LogP ≤ 56.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-8,8-dimethylphenaleno[1,2-c]furan-1,10-dione?
The IUPAC name of 7-hydroxy-8,8-dimethylphenaleno[1,2-c]furan-1,10-dione (CID 139181722) is 7-hydroxy-8,8-dimethylphenaleno[1,2-c]furan-1,10-dione.
What is the SMILES notation for 7-hydroxy-8,8-dimethylphenaleno[1,2-c]furan-1,10-dione?
The canonical SMILES for 7-hydroxy-8,8-dimethylphenaleno[1,2-c]furan-1,10-dione is CC1(C)OC(=O)c2c1c(O)c1cccc3c1c2C(=O)C=C3.CC1(C)OC(=O)c2c1c(O)c1cccc3c1c2C(=O)C=C3.
What is the InChIKey of 7-hydroxy-8,8-dimethylphenaleno[1,2-c]furan-1,10-dione?
The InChIKey is RBZQSMQJKMASHP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H12O4/c2*1-17(2)14-13(16(20)21-17)12-10(18)7-6-8-4-3-5-9(11(8)12)15(14)19/h2*3-7,19H,1-2H3.
What are the key properties of 7-hydroxy-8,8-dimethylphenaleno[1,2-c]furan-1,10-dione?
7-hydroxy-8,8-dimethylphenaleno[1,2-c]furan-1,10-dione has a molecular weight of 560.56 g/mol, XLogP of 6.32, 0 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-8,8-dimethylphenaleno[1,2-c]furan-1,10-dione is sourced from PubChem (CID 139181722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).