(9R)-3,4,9-trimethyl-9,10-dihydro-8H-naphtho[2,1-g]chromene-7,12-dione

C20H18O3 — CID 163046356

IUPAC(9R)-3,4,9-trimethyl-9,10-dihydro-8H-naphtho[2,1-g]chromene-7,12-dione
SMILESCc1ccc2c3c(ccc2c1C)C(=O)C1=C(OC[C@H](C)C1)C3=O
InChIInChI=1S/C20H18O3/c1-10-8-16-18(21)15-7-6-13-12(3)11(2)4-5-14(13)17(15)19(22)20(16)23-9-10/h4-7,10H,8-9H2,1-3H3/t10-/m1/s1
InChIKeyIRINNKUOFOYZDG-SNVBAGLBSA-N
MW306.36 g/mol
LogP4.15
Rot. Bonds

About (9R)-3,4,9-trimethyl-9,10-dihydro-8H-naphtho[2,1-g]chromene-7,12-dione

(9R)-3,4,9-trimethyl-9,10-dihydro-8H-naphtho[2,1-g]chromene-7,12-dione (PubChem CID 163046356) has the molecular formula C20H18O3 and a molecular weight of 306.36 g/mol. Its IUPAC name is (9R)-3,4,9-trimethyl-9,10-dihydro-8H-naphtho[2,1-g]chromene-7,12-dione.

Molecular Properties

Compound Name(9R)-3,4,9-trimethyl-9,10-dihydro-8H-naphtho[2,1-g]chromene-7,12-dione
PubChem CID163046356
Molecular FormulaC20H18O3
Molecular Weight306.36 g/mol
Exact Mass306.13
IUPAC Name(9R)-3,4,9-trimethyl-9,10-dihydro-8H-naphtho[2,1-g]chromene-7,12-dione
SMILESCc1ccc2c3c(ccc2c1C)C(=O)C1=C(OC[C@H](C)C1)C3=O
InChIInChI=1S/C20H18O3/c1-10-8-16-18(21)15-7-6-13-12(3)11(2)4-5-14(13)17(15)19(22)20(16)23-9-10/h4-7,10H,8-9H2,1-3H3/t10-/m1/s1
InChIKeyIRINNKUOFOYZDG-SNVBAGLBSA-N
XLogP4.15
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (9R)-3,4,9-trimethyl-9,10-dihydro-8H-naphtho[2,1-g]chromene-7,12-dione?
The IUPAC name of (9R)-3,4,9-trimethyl-9,10-dihydro-8H-naphtho[2,1-g]chromene-7,12-dione (CID 163046356) is (9R)-3,4,9-trimethyl-9,10-dihydro-8H-naphtho[2,1-g]chromene-7,12-dione.
What is the SMILES notation for (9R)-3,4,9-trimethyl-9,10-dihydro-8H-naphtho[2,1-g]chromene-7,12-dione?
The canonical SMILES for (9R)-3,4,9-trimethyl-9,10-dihydro-8H-naphtho[2,1-g]chromene-7,12-dione is Cc1ccc2c3c(ccc2c1C)C(=O)C1=C(OC[C@H](C)C1)C3=O.
What is the InChIKey of (9R)-3,4,9-trimethyl-9,10-dihydro-8H-naphtho[2,1-g]chromene-7,12-dione?
The InChIKey is IRINNKUOFOYZDG-SNVBAGLBSA-N. The full InChI is InChI=1S/C20H18O3/c1-10-8-16-18(21)15-7-6-13-12(3)11(2)4-5-14(13)17(15)19(22)20(16)23-9-10/h4-7,10H,8-9H2,1-3H3/t10-/m1/s1.
What are the key properties of (9R)-3,4,9-trimethyl-9,10-dihydro-8H-naphtho[2,1-g]chromene-7,12-dione?
(9R)-3,4,9-trimethyl-9,10-dihydro-8H-naphtho[2,1-g]chromene-7,12-dione has a molecular weight of 306.36 g/mol, XLogP of 4.15, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9R)-3,4,9-trimethyl-9,10-dihydro-8H-naphtho[2,1-g]chromene-7,12-dione is sourced from PubChem (CID 163046356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).