6-methoxy-3,3,12-trimethyl-7H-pyrano[2,3-c]acridin-7-ol

C20H21NO3 — CID 23442

IUPAC6-methoxy-3,3,12-trimethyl-7H-pyrano[2,3-c]acridin-7-ol
SMILESCOc1cc2c(c3c1C(O)c1ccccc1N3C)C=CC(C)(C)O2
InChIInChI=1S/C20H21NO3/c1-20(2)10-9-13-15(24-20)11-16(23-4)17-18(13)21(3)14-8-6-5-7-12(14)19(17)22/h5-11,19,22H,1-4H3
InChIKeyPFNSTWXXJBWAIV-UHFFFAOYSA-N
MW323.39 g/mol
LogP4.04
Rot. Bonds1

About 6-methoxy-3,3,12-trimethyl-7H-pyrano[2,3-c]acridin-7-ol

6-methoxy-3,3,12-trimethyl-7H-pyrano[2,3-c]acridin-7-ol (PubChem CID 23442) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is 6-methoxy-3,3,12-trimethyl-7H-pyrano[2,3-c]acridin-7-ol.

Molecular Properties

Compound Name6-methoxy-3,3,12-trimethyl-7H-pyrano[2,3-c]acridin-7-ol
PubChem CID23442
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name6-methoxy-3,3,12-trimethyl-7H-pyrano[2,3-c]acridin-7-ol
SMILESCOc1cc2c(c3c1C(O)c1ccccc1N3C)C=CC(C)(C)O2
InChIInChI=1S/C20H21NO3/c1-20(2)10-9-13-15(24-20)11-16(23-4)17-18(13)21(3)14-8-6-5-7-12(14)19(17)22/h5-11,19,22H,1-4H3
InChIKeyPFNSTWXXJBWAIV-UHFFFAOYSA-N
XLogP4.04
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3,3,12-trimethyl-7H-pyrano[2,3-c]acridin-7-ol?
The IUPAC name of 6-methoxy-3,3,12-trimethyl-7H-pyrano[2,3-c]acridin-7-ol (CID 23442) is 6-methoxy-3,3,12-trimethyl-7H-pyrano[2,3-c]acridin-7-ol.
What is the SMILES notation for 6-methoxy-3,3,12-trimethyl-7H-pyrano[2,3-c]acridin-7-ol?
The canonical SMILES for 6-methoxy-3,3,12-trimethyl-7H-pyrano[2,3-c]acridin-7-ol is COc1cc2c(c3c1C(O)c1ccccc1N3C)C=CC(C)(C)O2.
What is the InChIKey of 6-methoxy-3,3,12-trimethyl-7H-pyrano[2,3-c]acridin-7-ol?
The InChIKey is PFNSTWXXJBWAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c1-20(2)10-9-13-15(24-20)11-16(23-4)17-18(13)21(3)14-8-6-5-7-12(14)19(17)22/h5-11,19,22H,1-4H3.
What are the key properties of 6-methoxy-3,3,12-trimethyl-7H-pyrano[2,3-c]acridin-7-ol?
6-methoxy-3,3,12-trimethyl-7H-pyrano[2,3-c]acridin-7-ol has a molecular weight of 323.39 g/mol, XLogP of 4.04, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3,3,12-trimethyl-7H-pyrano[2,3-c]acridin-7-ol is sourced from PubChem (CID 23442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).