4-[[3-methoxy-4-(morpholin-4-ylmethyl)phenyl]methyl]-3-[4-(2-pyrrolidin-1-ylethyl)phenyl]phenol

C31H38N2O3 — CID 70094550

IUPAC4-[[3-methoxy-4-(morpholin-4-ylmethyl)phenyl]methyl]-3-[4-(2-pyrrolidin-1-ylethyl)phenyl]phenol
SMILESCOc1cc(Cc2ccc(O)cc2-c2ccc(CCN3CCCC3)cc2)ccc1CN1CCOCC1
InChIInChI=1S/C31H38N2O3/c1-35-31-21-25(6-9-28(31)23-33-16-18-36-19-17-33)20-27-10-11-29(34)22-30(27)26-7-4-24(5-8-26)12-15-32-13-2-3-14-32/h4-11,21-22,34H,2-3,12-20,23H2,1H3
InChIKeyJSWQUIFCTNEGCY-UHFFFAOYSA-N
MW486.66 g/mol
LogP5.13
Rot. Bonds9

About 4-[[3-methoxy-4-(morpholin-4-ylmethyl)phenyl]methyl]-3-[4-(2-pyrrolidin-1-ylethyl)phenyl]phenol

4-[[3-methoxy-4-(morpholin-4-ylmethyl)phenyl]methyl]-3-[4-(2-pyrrolidin-1-ylethyl)phenyl]phenol (PubChem CID 70094550) has the molecular formula C31H38N2O3 and a molecular weight of 486.66 g/mol. Its IUPAC name is 4-[[3-methoxy-4-(morpholin-4-ylmethyl)phenyl]methyl]-3-[4-(2-pyrrolidin-1-ylethyl)phenyl]phenol.

Molecular Properties

Compound Name4-[[3-methoxy-4-(morpholin-4-ylmethyl)phenyl]methyl]-3-[4-(2-pyrrolidin-1-ylethyl)phenyl]phenol
PubChem CID70094550
Molecular FormulaC31H38N2O3
Molecular Weight486.66 g/mol
Exact Mass486.29
IUPAC Name4-[[3-methoxy-4-(morpholin-4-ylmethyl)phenyl]methyl]-3-[4-(2-pyrrolidin-1-ylethyl)phenyl]phenol
SMILESCOc1cc(Cc2ccc(O)cc2-c2ccc(CCN3CCCC3)cc2)ccc1CN1CCOCC1
InChIInChI=1S/C31H38N2O3/c1-35-31-21-25(6-9-28(31)23-33-16-18-36-19-17-33)20-27-10-11-29(34)22-30(27)26-7-4-24(5-8-26)12-15-32-13-2-3-14-32/h4-11,21-22,34H,2-3,12-20,23H2,1H3
InChIKeyJSWQUIFCTNEGCY-UHFFFAOYSA-N
XLogP5.13
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.66
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[[3-methoxy-4-(morpholin-4-ylmethyl)phenyl]methyl]-3-[4-(2-pyrrolidin-1-ylethyl)phenyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[3-methoxy-4-(morpholin-4-ylmethyl)phenyl]methyl]-3-[4-(2-pyrrolidin-1-ylethyl)phenyl]phenol?
The IUPAC name of 4-[[3-methoxy-4-(morpholin-4-ylmethyl)phenyl]methyl]-3-[4-(2-pyrrolidin-1-ylethyl)phenyl]phenol (CID 70094550) is 4-[[3-methoxy-4-(morpholin-4-ylmethyl)phenyl]methyl]-3-[4-(2-pyrrolidin-1-ylethyl)phenyl]phenol.
What is the SMILES notation for 4-[[3-methoxy-4-(morpholin-4-ylmethyl)phenyl]methyl]-3-[4-(2-pyrrolidin-1-ylethyl)phenyl]phenol?
The canonical SMILES for 4-[[3-methoxy-4-(morpholin-4-ylmethyl)phenyl]methyl]-3-[4-(2-pyrrolidin-1-ylethyl)phenyl]phenol is COc1cc(Cc2ccc(O)cc2-c2ccc(CCN3CCCC3)cc2)ccc1CN1CCOCC1.
What is the InChIKey of 4-[[3-methoxy-4-(morpholin-4-ylmethyl)phenyl]methyl]-3-[4-(2-pyrrolidin-1-ylethyl)phenyl]phenol?
The InChIKey is JSWQUIFCTNEGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38N2O3/c1-35-31-21-25(6-9-28(31)23-33-16-18-36-19-17-33)20-27-10-11-29(34)22-30(27)26-7-4-24(5-8-26)12-15-32-13-2-3-14-32/h4-11,21-22,34H,2-3,12-20,23H2,1H3.
What are the key properties of 4-[[3-methoxy-4-(morpholin-4-ylmethyl)phenyl]methyl]-3-[4-(2-pyrrolidin-1-ylethyl)phenyl]phenol?
4-[[3-methoxy-4-(morpholin-4-ylmethyl)phenyl]methyl]-3-[4-(2-pyrrolidin-1-ylethyl)phenyl]phenol has a molecular weight of 486.66 g/mol, XLogP of 5.13, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-methoxy-4-(morpholin-4-ylmethyl)phenyl]methyl]-3-[4-(2-pyrrolidin-1-ylethyl)phenyl]phenol is sourced from PubChem (CID 70094550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).