2-(4-methoxyphenyl)-4-(2,2,6,7-tetramethyl-3H-1-benzofuran-5-yl)morpholine

C23H29NO3 — CID 59485034

IUPAC2-(4-methoxyphenyl)-4-(2,2,6,7-tetramethyl-3H-1-benzofuran-5-yl)morpholine
SMILESCOc1ccc(C2CN(c3cc4c(c(C)c3C)OC(C)(C)C4)CCO2)cc1
InChIInChI=1S/C23H29NO3/c1-15-16(2)22-18(13-23(3,4)27-22)12-20(15)24-10-11-26-21(14-24)17-6-8-19(25-5)9-7-17/h6-9,12,21H,10-11,13-14H2,1-5H3
InChIKeyUJDVUJLZSISKIY-UHFFFAOYSA-N
MW367.49 g/mol
LogP4.60
Rot. Bonds3

About 2-(4-methoxyphenyl)-4-(2,2,6,7-tetramethyl-3H-1-benzofuran-5-yl)morpholine

2-(4-methoxyphenyl)-4-(2,2,6,7-tetramethyl-3H-1-benzofuran-5-yl)morpholine (PubChem CID 59485034) has the molecular formula C23H29NO3 and a molecular weight of 367.49 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-4-(2,2,6,7-tetramethyl-3H-1-benzofuran-5-yl)morpholine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-4-(2,2,6,7-tetramethyl-3H-1-benzofuran-5-yl)morpholine
PubChem CID59485034
Molecular FormulaC23H29NO3
Molecular Weight367.49 g/mol
Exact Mass367.21
IUPAC Name2-(4-methoxyphenyl)-4-(2,2,6,7-tetramethyl-3H-1-benzofuran-5-yl)morpholine
SMILESCOc1ccc(C2CN(c3cc4c(c(C)c3C)OC(C)(C)C4)CCO2)cc1
InChIInChI=1S/C23H29NO3/c1-15-16(2)22-18(13-23(3,4)27-22)12-20(15)24-10-11-26-21(14-24)17-6-8-19(25-5)9-7-17/h6-9,12,21H,10-11,13-14H2,1-5H3
InChIKeyUJDVUJLZSISKIY-UHFFFAOYSA-N
XLogP4.60
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 2-(4-methoxyphenyl)-4-(2,2,6,7-tetramethyl-3H-1-benzofuran-5-yl)morpholine?
The IUPAC name of 2-(4-methoxyphenyl)-4-(2,2,6,7-tetramethyl-3H-1-benzofuran-5-yl)morpholine (CID 59485034) is 2-(4-methoxyphenyl)-4-(2,2,6,7-tetramethyl-3H-1-benzofuran-5-yl)morpholine.
What is the SMILES notation for 2-(4-methoxyphenyl)-4-(2,2,6,7-tetramethyl-3H-1-benzofuran-5-yl)morpholine?
The canonical SMILES for 2-(4-methoxyphenyl)-4-(2,2,6,7-tetramethyl-3H-1-benzofuran-5-yl)morpholine is COc1ccc(C2CN(c3cc4c(c(C)c3C)OC(C)(C)C4)CCO2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-4-(2,2,6,7-tetramethyl-3H-1-benzofuran-5-yl)morpholine?
The InChIKey is UJDVUJLZSISKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO3/c1-15-16(2)22-18(13-23(3,4)27-22)12-20(15)24-10-11-26-21(14-24)17-6-8-19(25-5)9-7-17/h6-9,12,21H,10-11,13-14H2,1-5H3.
What are the key properties of 2-(4-methoxyphenyl)-4-(2,2,6,7-tetramethyl-3H-1-benzofuran-5-yl)morpholine?
2-(4-methoxyphenyl)-4-(2,2,6,7-tetramethyl-3H-1-benzofuran-5-yl)morpholine has a molecular weight of 367.49 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-4-(2,2,6,7-tetramethyl-3H-1-benzofuran-5-yl)morpholine is sourced from PubChem (CID 59485034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).