1-[4-[[4-[2-hydroxy-3-(2,2,4,6-tetramethyl-3,4-dihydroquinolin-1-yl)propoxy]phenyl]methyl]phenoxy]-3-(2,2,4,6-tetramethyl-3,4-dihydroquinolin-1-yl)propan-2-ol

C45H58N2O4 — CID 22160241

IUPAC1-[4-[[4-[2-hydroxy-3-(2,2,4,6-tetramethyl-3,4-dihydroquinolin-1-yl)propoxy]phenyl]methyl]phenoxy]-3-(2,2,4,6-tetramethyl-3,4-dihydroquinolin-1-yl)propan-2-ol
SMILESCc1ccc2c(c1)C(C)CC(C)(C)N2CC(O)COc1ccc(Cc2ccc(OCC(O)CN3c4ccc(C)cc4C(C)CC3(C)C)cc2)cc1
InChIInChI=1S/C45H58N2O4/c1-30-9-19-42-40(21-30)32(3)24-44(5,6)46(42)26-36(48)28-50-38-15-11-34(12-16-38)23-35-13-17-39(18-14-35)51-29-37(49)27-47-43-20-10-31(2)22-41(43)33(4)25-45(47,7)8/h9-22,32-33,36-37,48-49H,23-29H2,1-8H3
InChIKeyMVVIXLCSJDFEAU-UHFFFAOYSA-N
MW690.97 g/mol
LogP8.96
Rot. Bonds12

About 1-[4-[[4-[2-hydroxy-3-(2,2,4,6-tetramethyl-3,4-dihydroquinolin-1-yl)propoxy]phenyl]methyl]phenoxy]-3-(2,2,4,6-tetramethyl-3,4-dihydroquinolin-1-yl)propan-2-ol

1-[4-[[4-[2-hydroxy-3-(2,2,4,6-tetramethyl-3,4-dihydroquinolin-1-yl)propoxy]phenyl]methyl]phenoxy]-3-(2,2,4,6-tetramethyl-3,4-dihydroquinolin-1-yl)propan-2-ol (PubChem CID 22160241) has the molecular formula C45H58N2O4 and a molecular weight of 690.97 g/mol. Its IUPAC name is 1-[4-[[4-[2-hydroxy-3-(2,2,4,6-tetramethyl-3,4-dihydroquinolin-1-yl)propoxy]phenyl]methyl]phenoxy]-3-(2,2,4,6-tetramethyl-3,4-dihydroquinolin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-[4-[[4-[2-hydroxy-3-(2,2,4,6-tetramethyl-3,4-dihydroquinolin-1-yl)propoxy]phenyl]methyl]phenoxy]-3-(2,2,4,6-tetramethyl-3,4-dihydroquinolin-1-yl)propan-2-ol
PubChem CID22160241
Molecular FormulaC45H58N2O4
Molecular Weight690.97 g/mol
Exact Mass690.44
IUPAC Name1-[4-[[4-[2-hydroxy-3-(2,2,4,6-tetramethyl-3,4-dihydroquinolin-1-yl)propoxy]phenyl]methyl]phenoxy]-3-(2,2,4,6-tetramethyl-3,4-dihydroquinolin-1-yl)propan-2-ol
SMILESCc1ccc2c(c1)C(C)CC(C)(C)N2CC(O)COc1ccc(Cc2ccc(OCC(O)CN3c4ccc(C)cc4C(C)CC3(C)C)cc2)cc1
InChIInChI=1S/C45H58N2O4/c1-30-9-19-42-40(21-30)32(3)24-44(5,6)46(42)26-36(48)28-50-38-15-11-34(12-16-38)23-35-13-17-39(18-14-35)51-29-37(49)27-47-43-20-10-31(2)22-41(43)33(4)25-45(47,7)8/h9-22,32-33,36-37,48-49H,23-29H2,1-8H3
InChIKeyMVVIXLCSJDFEAU-UHFFFAOYSA-N
XLogP8.96
TPSA65.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.97
LogP ≤ 58.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[4-[[4-[2-hydroxy-3-(2,2,4,6-tetramethyl-3,4-dihydroquinolin-1-yl)propoxy]phenyl]methyl]phenoxy]-3-(2,2,4,6-tetramethyl-3,4-dihydroquinolin-1-yl)propan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-[2-hydroxy-3-(2,2,4,6-tetramethyl-3,4-dihydroquinolin-1-yl)propoxy]phenyl]methyl]phenoxy]-3-(2,2,4,6-tetramethyl-3,4-dihydroquinolin-1-yl)propan-2-ol?
The IUPAC name of 1-[4-[[4-[2-hydroxy-3-(2,2,4,6-tetramethyl-3,4-dihydroquinolin-1-yl)propoxy]phenyl]methyl]phenoxy]-3-(2,2,4,6-tetramethyl-3,4-dihydroquinolin-1-yl)propan-2-ol (CID 22160241) is 1-[4-[[4-[2-hydroxy-3-(2,2,4,6-tetramethyl-3,4-dihydroquinolin-1-yl)propoxy]phenyl]methyl]phenoxy]-3-(2,2,4,6-tetramethyl-3,4-dihydroquinolin-1-yl)propan-2-ol.
What is the SMILES notation for 1-[4-[[4-[2-hydroxy-3-(2,2,4,6-tetramethyl-3,4-dihydroquinolin-1-yl)propoxy]phenyl]methyl]phenoxy]-3-(2,2,4,6-tetramethyl-3,4-dihydroquinolin-1-yl)propan-2-ol?
The canonical SMILES for 1-[4-[[4-[2-hydroxy-3-(2,2,4,6-tetramethyl-3,4-dihydroquinolin-1-yl)propoxy]phenyl]methyl]phenoxy]-3-(2,2,4,6-tetramethyl-3,4-dihydroquinolin-1-yl)propan-2-ol is Cc1ccc2c(c1)C(C)CC(C)(C)N2CC(O)COc1ccc(Cc2ccc(OCC(O)CN3c4ccc(C)cc4C(C)CC3(C)C)cc2)cc1.
What is the InChIKey of 1-[4-[[4-[2-hydroxy-3-(2,2,4,6-tetramethyl-3,4-dihydroquinolin-1-yl)propoxy]phenyl]methyl]phenoxy]-3-(2,2,4,6-tetramethyl-3,4-dihydroquinolin-1-yl)propan-2-ol?
The InChIKey is MVVIXLCSJDFEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H58N2O4/c1-30-9-19-42-40(21-30)32(3)24-44(5,6)46(42)26-36(48)28-50-38-15-11-34(12-16-38)23-35-13-17-39(18-14-35)51-29-37(49)27-47-43-20-10-31(2)22-41(43)33(4)25-45(47,7)8/h9-22,32-33,36-37,48-49H,23-29H2,1-8H3.
What are the key properties of 1-[4-[[4-[2-hydroxy-3-(2,2,4,6-tetramethyl-3,4-dihydroquinolin-1-yl)propoxy]phenyl]methyl]phenoxy]-3-(2,2,4,6-tetramethyl-3,4-dihydroquinolin-1-yl)propan-2-ol?
1-[4-[[4-[2-hydroxy-3-(2,2,4,6-tetramethyl-3,4-dihydroquinolin-1-yl)propoxy]phenyl]methyl]phenoxy]-3-(2,2,4,6-tetramethyl-3,4-dihydroquinolin-1-yl)propan-2-ol has a molecular weight of 690.97 g/mol, XLogP of 8.96, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-[2-hydroxy-3-(2,2,4,6-tetramethyl-3,4-dihydroquinolin-1-yl)propoxy]phenyl]methyl]phenoxy]-3-(2,2,4,6-tetramethyl-3,4-dihydroquinolin-1-yl)propan-2-ol is sourced from PubChem (CID 22160241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).