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

C24H31NO3 — CID 59485000

IUPAC2-(4-methoxyphenyl)-4-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)morpholine
SMILESCOc1ccc(C2CN(c3c(C)c(C)c4c(c3C)CC(C)(C)O4)CCO2)cc1
InChIInChI=1S/C24H31NO3/c1-15-16(2)23-20(13-24(4,5)28-23)17(3)22(15)25-11-12-27-21(14-25)18-7-9-19(26-6)10-8-18/h7-10,21H,11-14H2,1-6H3
InChIKeyMKVVZDPDMCNRAV-UHFFFAOYSA-N
MW381.52 g/mol
LogP4.91
Rot. Bonds3

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

2-(4-methoxyphenyl)-4-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)morpholine (PubChem CID 59485000) has the molecular formula C24H31NO3 and a molecular weight of 381.52 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-4-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)morpholine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-4-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)morpholine
PubChem CID59485000
Molecular FormulaC24H31NO3
Molecular Weight381.52 g/mol
Exact Mass381.23
IUPAC Name2-(4-methoxyphenyl)-4-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)morpholine
SMILESCOc1ccc(C2CN(c3c(C)c(C)c4c(c3C)CC(C)(C)O4)CCO2)cc1
InChIInChI=1S/C24H31NO3/c1-15-16(2)23-20(13-24(4,5)28-23)17(3)22(15)25-11-12-27-21(14-25)18-7-9-19(26-6)10-8-18/h7-10,21H,11-14H2,1-6H3
InChIKeyMKVVZDPDMCNRAV-UHFFFAOYSA-N
XLogP4.91
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 54.91
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-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)morpholine?
The IUPAC name of 2-(4-methoxyphenyl)-4-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)morpholine (CID 59485000) is 2-(4-methoxyphenyl)-4-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)morpholine.
What is the SMILES notation for 2-(4-methoxyphenyl)-4-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)morpholine?
The canonical SMILES for 2-(4-methoxyphenyl)-4-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)morpholine is COc1ccc(C2CN(c3c(C)c(C)c4c(c3C)CC(C)(C)O4)CCO2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-4-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)morpholine?
The InChIKey is MKVVZDPDMCNRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO3/c1-15-16(2)23-20(13-24(4,5)28-23)17(3)22(15)25-11-12-27-21(14-25)18-7-9-19(26-6)10-8-18/h7-10,21H,11-14H2,1-6H3.
What are the key properties of 2-(4-methoxyphenyl)-4-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)morpholine?
2-(4-methoxyphenyl)-4-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)morpholine has a molecular weight of 381.52 g/mol, XLogP of 4.91, 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-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)morpholine is sourced from PubChem (CID 59485000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).