(12aR)-12a-methoxybenzo[c]xanthene-5,7-dione

C18H12O4 — CID 139091694

IUPAC(12aR)-12a-methoxybenzo[c]xanthene-5,7-dione
SMILESCO[C@]12Oc3ccccc3C(=O)C1=CC(=O)c1ccccc12
InChIInChI=1S/C18H12O4/c1-21-18-13-8-4-2-6-11(13)15(19)10-14(18)17(20)12-7-3-5-9-16(12)22-18/h2-10H,1H3/t18-/m1/s1
InChIKeyACIDTYPTQNCKPQ-GOSISDBHSA-N
MW292.29 g/mol
LogP2.88
Rot. Bonds1

About (12aR)-12a-methoxybenzo[c]xanthene-5,7-dione

(12aR)-12a-methoxybenzo[c]xanthene-5,7-dione (PubChem CID 139091694) has the molecular formula C18H12O4 and a molecular weight of 292.29 g/mol. Its IUPAC name is (12aR)-12a-methoxybenzo[c]xanthene-5,7-dione.

Molecular Properties

Compound Name(12aR)-12a-methoxybenzo[c]xanthene-5,7-dione
PubChem CID139091694
Molecular FormulaC18H12O4
Molecular Weight292.29 g/mol
Exact Mass292.07
IUPAC Name(12aR)-12a-methoxybenzo[c]xanthene-5,7-dione
SMILESCO[C@]12Oc3ccccc3C(=O)C1=CC(=O)c1ccccc12
InChIInChI=1S/C18H12O4/c1-21-18-13-8-4-2-6-11(13)15(19)10-14(18)17(20)12-7-3-5-9-16(12)22-18/h2-10H,1H3/t18-/m1/s1
InChIKeyACIDTYPTQNCKPQ-GOSISDBHSA-N
XLogP2.88
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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(2R)-2-(dimethoxymethyl)-2-methyl-3H-chromen-4-one
CID 124578802
10-hydroperoxy-10-methoxyanthracen-9-one
CID 12601747
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Frequently Asked Questions

What is the IUPAC name of (12aR)-12a-methoxybenzo[c]xanthene-5,7-dione?
The IUPAC name of (12aR)-12a-methoxybenzo[c]xanthene-5,7-dione (CID 139091694) is (12aR)-12a-methoxybenzo[c]xanthene-5,7-dione.
What is the SMILES notation for (12aR)-12a-methoxybenzo[c]xanthene-5,7-dione?
The canonical SMILES for (12aR)-12a-methoxybenzo[c]xanthene-5,7-dione is CO[C@]12Oc3ccccc3C(=O)C1=CC(=O)c1ccccc12.
What is the InChIKey of (12aR)-12a-methoxybenzo[c]xanthene-5,7-dione?
The InChIKey is ACIDTYPTQNCKPQ-GOSISDBHSA-N. The full InChI is InChI=1S/C18H12O4/c1-21-18-13-8-4-2-6-11(13)15(19)10-14(18)17(20)12-7-3-5-9-16(12)22-18/h2-10H,1H3/t18-/m1/s1.
What are the key properties of (12aR)-12a-methoxybenzo[c]xanthene-5,7-dione?
(12aR)-12a-methoxybenzo[c]xanthene-5,7-dione has a molecular weight of 292.29 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (12aR)-12a-methoxybenzo[c]xanthene-5,7-dione is sourced from PubChem (CID 139091694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).