(1R)-2-amino-1,7-dihydroxy-3,9-dimethoxy-1-methylbenzo[c]chromene-4,6-dione

C16H15NO7 — CID 134143819

IUPAC(1R)-2-amino-1,7-dihydroxy-3,9-dimethoxy-1-methylbenzo[c]chromene-4,6-dione
SMILESCOC1=C(N)[C@](C)(O)c2c(oc(=O)c3c(O)cc(OC)cc23)C1=O
InChIInChI=1S/C16H15NO7/c1-16(21)10-7-4-6(22-2)5-8(18)9(7)15(20)24-12(10)11(19)13(23-3)14(16)17/h4-5,18,21H,17H2,1-3H3/t16-/m1/s1
InChIKeyILXPBVLQPLSZQZ-MRXNPFEDSA-N
MW333.30 g/mol
LogP0.73
Rot. Bonds2

About (1R)-2-amino-1,7-dihydroxy-3,9-dimethoxy-1-methylbenzo[c]chromene-4,6-dione

(1R)-2-amino-1,7-dihydroxy-3,9-dimethoxy-1-methylbenzo[c]chromene-4,6-dione (PubChem CID 134143819) has the molecular formula C16H15NO7 and a molecular weight of 333.30 g/mol. Its IUPAC name is (1R)-2-amino-1,7-dihydroxy-3,9-dimethoxy-1-methylbenzo[c]chromene-4,6-dione.

Molecular Properties

Compound Name(1R)-2-amino-1,7-dihydroxy-3,9-dimethoxy-1-methylbenzo[c]chromene-4,6-dione
PubChem CID134143819
Molecular FormulaC16H15NO7
Molecular Weight333.30 g/mol
Exact Mass333.08
IUPAC Name(1R)-2-amino-1,7-dihydroxy-3,9-dimethoxy-1-methylbenzo[c]chromene-4,6-dione
SMILESCOC1=C(N)[C@](C)(O)c2c(oc(=O)c3c(O)cc(OC)cc23)C1=O
InChIInChI=1S/C16H15NO7/c1-16(21)10-7-4-6(22-2)5-8(18)9(7)15(20)24-12(10)11(19)13(23-3)14(16)17/h4-5,18,21H,17H2,1-3H3/t16-/m1/s1
InChIKeyILXPBVLQPLSZQZ-MRXNPFEDSA-N
XLogP0.73
TPSA132.22 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.30
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (1R)-2-amino-1,7-dihydroxy-3,9-dimethoxy-1-methylbenzo[c]chromene-4,6-dione?
The IUPAC name of (1R)-2-amino-1,7-dihydroxy-3,9-dimethoxy-1-methylbenzo[c]chromene-4,6-dione (CID 134143819) is (1R)-2-amino-1,7-dihydroxy-3,9-dimethoxy-1-methylbenzo[c]chromene-4,6-dione.
What is the SMILES notation for (1R)-2-amino-1,7-dihydroxy-3,9-dimethoxy-1-methylbenzo[c]chromene-4,6-dione?
The canonical SMILES for (1R)-2-amino-1,7-dihydroxy-3,9-dimethoxy-1-methylbenzo[c]chromene-4,6-dione is COC1=C(N)[C@](C)(O)c2c(oc(=O)c3c(O)cc(OC)cc23)C1=O.
What is the InChIKey of (1R)-2-amino-1,7-dihydroxy-3,9-dimethoxy-1-methylbenzo[c]chromene-4,6-dione?
The InChIKey is ILXPBVLQPLSZQZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H15NO7/c1-16(21)10-7-4-6(22-2)5-8(18)9(7)15(20)24-12(10)11(19)13(23-3)14(16)17/h4-5,18,21H,17H2,1-3H3/t16-/m1/s1.
What are the key properties of (1R)-2-amino-1,7-dihydroxy-3,9-dimethoxy-1-methylbenzo[c]chromene-4,6-dione?
(1R)-2-amino-1,7-dihydroxy-3,9-dimethoxy-1-methylbenzo[c]chromene-4,6-dione has a molecular weight of 333.30 g/mol, XLogP of 0.73, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-amino-1,7-dihydroxy-3,9-dimethoxy-1-methylbenzo[c]chromene-4,6-dione is sourced from PubChem (CID 134143819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).