8-methoxy-2,2,6,9-tetramethyl-5,6-dihydro-4H-1-benzoxocin-3-one

C16H22O3 — CID 11402783

IUPAC8-methoxy-2,2,6,9-tetramethyl-5,6-dihydro-4H-1-benzoxocin-3-one
SMILESCOc1cc2c(cc1C)OC(C)(C)C(=O)CCC2C
InChIInChI=1S/C16H22O3/c1-10-6-7-15(17)16(3,4)19-14-8-11(2)13(18-5)9-12(10)14/h8-10H,6-7H2,1-5H3
InChIKeyRJXCOENECMAAHS-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.63
Rot. Bonds1

About 8-methoxy-2,2,6,9-tetramethyl-5,6-dihydro-4H-1-benzoxocin-3-one

8-methoxy-2,2,6,9-tetramethyl-5,6-dihydro-4H-1-benzoxocin-3-one (PubChem CID 11402783) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is 8-methoxy-2,2,6,9-tetramethyl-5,6-dihydro-4H-1-benzoxocin-3-one.

Molecular Properties

Compound Name8-methoxy-2,2,6,9-tetramethyl-5,6-dihydro-4H-1-benzoxocin-3-one
PubChem CID11402783
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name8-methoxy-2,2,6,9-tetramethyl-5,6-dihydro-4H-1-benzoxocin-3-one
SMILESCOc1cc2c(cc1C)OC(C)(C)C(=O)CCC2C
InChIInChI=1S/C16H22O3/c1-10-6-7-15(17)16(3,4)19-14-8-11(2)13(18-5)9-12(10)14/h8-10H,6-7H2,1-5H3
InChIKeyRJXCOENECMAAHS-UHFFFAOYSA-N
XLogP3.63
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-methoxy-2,2,6,9-tetramethyl-5,6-dihydro-4H-1-benzoxocin-3-one with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2,2,6,9-tetramethyl-5,6-dihydro-4H-1-benzoxocin-3-one?
The IUPAC name of 8-methoxy-2,2,6,9-tetramethyl-5,6-dihydro-4H-1-benzoxocin-3-one (CID 11402783) is 8-methoxy-2,2,6,9-tetramethyl-5,6-dihydro-4H-1-benzoxocin-3-one.
What is the SMILES notation for 8-methoxy-2,2,6,9-tetramethyl-5,6-dihydro-4H-1-benzoxocin-3-one?
The canonical SMILES for 8-methoxy-2,2,6,9-tetramethyl-5,6-dihydro-4H-1-benzoxocin-3-one is COc1cc2c(cc1C)OC(C)(C)C(=O)CCC2C.
What is the InChIKey of 8-methoxy-2,2,6,9-tetramethyl-5,6-dihydro-4H-1-benzoxocin-3-one?
The InChIKey is RJXCOENECMAAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-10-6-7-15(17)16(3,4)19-14-8-11(2)13(18-5)9-12(10)14/h8-10H,6-7H2,1-5H3.
What are the key properties of 8-methoxy-2,2,6,9-tetramethyl-5,6-dihydro-4H-1-benzoxocin-3-one?
8-methoxy-2,2,6,9-tetramethyl-5,6-dihydro-4H-1-benzoxocin-3-one has a molecular weight of 262.35 g/mol, XLogP of 3.63, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2,2,6,9-tetramethyl-5,6-dihydro-4H-1-benzoxocin-3-one is sourced from PubChem (CID 11402783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).