(1R)-1,6-dimethyl-1,2-dihydronaphtho[1,2-g][1]benzofuran-10,11-diol

C18H16O3 — CID 71737846

IUPAC(1R)-1,6-dimethyl-1,2-dihydronaphtho[1,2-g][1]benzofuran-10,11-diol
SMILESCc1cccc2c1ccc1c3c(c(O)c(O)c12)[C@@H](C)CO3
InChIInChI=1S/C18H16O3/c1-9-4-3-5-12-11(9)6-7-13-15(12)17(20)16(19)14-10(2)8-21-18(13)14/h3-7,10,19-20H,8H2,1-2H3/t10-/m0/s1
InChIKeyAQVWJPOCPHOGTH-JTQLQIEISA-N
MW280.32 g/mol
LogP4.21
Rot. Bonds

About (1R)-1,6-dimethyl-1,2-dihydronaphtho[1,2-g][1]benzofuran-10,11-diol

(1R)-1,6-dimethyl-1,2-dihydronaphtho[1,2-g][1]benzofuran-10,11-diol (PubChem CID 71737846) has the molecular formula C18H16O3 and a molecular weight of 280.32 g/mol. Its IUPAC name is (1R)-1,6-dimethyl-1,2-dihydronaphtho[1,2-g][1]benzofuran-10,11-diol.

Molecular Properties

Compound Name(1R)-1,6-dimethyl-1,2-dihydronaphtho[1,2-g][1]benzofuran-10,11-diol
PubChem CID71737846
Molecular FormulaC18H16O3
Molecular Weight280.32 g/mol
Exact Mass280.11
IUPAC Name(1R)-1,6-dimethyl-1,2-dihydronaphtho[1,2-g][1]benzofuran-10,11-diol
SMILESCc1cccc2c1ccc1c3c(c(O)c(O)c12)[C@@H](C)CO3
InChIInChI=1S/C18H16O3/c1-9-4-3-5-12-11(9)6-7-13-15(12)17(20)16(19)14-10(2)8-21-18(13)14/h3-7,10,19-20H,8H2,1-2H3/t10-/m0/s1
InChIKeyAQVWJPOCPHOGTH-JTQLQIEISA-N
XLogP4.21
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R)-1,6-dimethyl-1,2-dihydronaphtho[1,2-g][1]benzofuran-10,11-diol?
The IUPAC name of (1R)-1,6-dimethyl-1,2-dihydronaphtho[1,2-g][1]benzofuran-10,11-diol (CID 71737846) is (1R)-1,6-dimethyl-1,2-dihydronaphtho[1,2-g][1]benzofuran-10,11-diol.
What is the SMILES notation for (1R)-1,6-dimethyl-1,2-dihydronaphtho[1,2-g][1]benzofuran-10,11-diol?
The canonical SMILES for (1R)-1,6-dimethyl-1,2-dihydronaphtho[1,2-g][1]benzofuran-10,11-diol is Cc1cccc2c1ccc1c3c(c(O)c(O)c12)[C@@H](C)CO3.
What is the InChIKey of (1R)-1,6-dimethyl-1,2-dihydronaphtho[1,2-g][1]benzofuran-10,11-diol?
The InChIKey is AQVWJPOCPHOGTH-JTQLQIEISA-N. The full InChI is InChI=1S/C18H16O3/c1-9-4-3-5-12-11(9)6-7-13-15(12)17(20)16(19)14-10(2)8-21-18(13)14/h3-7,10,19-20H,8H2,1-2H3/t10-/m0/s1.
What are the key properties of (1R)-1,6-dimethyl-1,2-dihydronaphtho[1,2-g][1]benzofuran-10,11-diol?
(1R)-1,6-dimethyl-1,2-dihydronaphtho[1,2-g][1]benzofuran-10,11-diol has a molecular weight of 280.32 g/mol, XLogP of 4.21, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1,6-dimethyl-1,2-dihydronaphtho[1,2-g][1]benzofuran-10,11-diol is sourced from PubChem (CID 71737846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).