4-(2,3,4,7-tetramethyl-2,3-dihydro-1-benzofuran-5-yl)morpholine

C16H23NO2 — CID 59485032

IUPAC4-(2,3,4,7-tetramethyl-2,3-dihydro-1-benzofuran-5-yl)morpholine
SMILESCc1cc(N2CCOCC2)c(C)c2c1OC(C)C2C
InChIInChI=1S/C16H23NO2/c1-10-9-14(17-5-7-18-8-6-17)12(3)15-11(2)13(4)19-16(10)15/h9,11,13H,5-8H2,1-4H3
InChIKeyVGOCTMNMAFRJJN-UHFFFAOYSA-N
MW261.36 g/mol
LogP3.02
Rot. Bonds1

About 4-(2,3,4,7-tetramethyl-2,3-dihydro-1-benzofuran-5-yl)morpholine

4-(2,3,4,7-tetramethyl-2,3-dihydro-1-benzofuran-5-yl)morpholine (PubChem CID 59485032) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 4-(2,3,4,7-tetramethyl-2,3-dihydro-1-benzofuran-5-yl)morpholine.

Molecular Properties

Compound Name4-(2,3,4,7-tetramethyl-2,3-dihydro-1-benzofuran-5-yl)morpholine
PubChem CID59485032
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name4-(2,3,4,7-tetramethyl-2,3-dihydro-1-benzofuran-5-yl)morpholine
SMILESCc1cc(N2CCOCC2)c(C)c2c1OC(C)C2C
InChIInChI=1S/C16H23NO2/c1-10-9-14(17-5-7-18-8-6-17)12(3)15-11(2)13(4)19-16(10)15/h9,11,13H,5-8H2,1-4H3
InChIKeyVGOCTMNMAFRJJN-UHFFFAOYSA-N
XLogP3.02
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3,4,7-tetramethyl-2,3-dihydro-1-benzofuran-5-yl)morpholine?
The IUPAC name of 4-(2,3,4,7-tetramethyl-2,3-dihydro-1-benzofuran-5-yl)morpholine (CID 59485032) is 4-(2,3,4,7-tetramethyl-2,3-dihydro-1-benzofuran-5-yl)morpholine.
What is the SMILES notation for 4-(2,3,4,7-tetramethyl-2,3-dihydro-1-benzofuran-5-yl)morpholine?
The canonical SMILES for 4-(2,3,4,7-tetramethyl-2,3-dihydro-1-benzofuran-5-yl)morpholine is Cc1cc(N2CCOCC2)c(C)c2c1OC(C)C2C.
What is the InChIKey of 4-(2,3,4,7-tetramethyl-2,3-dihydro-1-benzofuran-5-yl)morpholine?
The InChIKey is VGOCTMNMAFRJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-10-9-14(17-5-7-18-8-6-17)12(3)15-11(2)13(4)19-16(10)15/h9,11,13H,5-8H2,1-4H3.
What are the key properties of 4-(2,3,4,7-tetramethyl-2,3-dihydro-1-benzofuran-5-yl)morpholine?
4-(2,3,4,7-tetramethyl-2,3-dihydro-1-benzofuran-5-yl)morpholine has a molecular weight of 261.36 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,4,7-tetramethyl-2,3-dihydro-1-benzofuran-5-yl)morpholine is sourced from PubChem (CID 59485032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).