4-[[3,5-dimethoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-3-(2-pyrrolidin-1-ylethoxy)phenol

C26H36N2O4 — CID 173255910

IUPAC4-[[3,5-dimethoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-3-(2-pyrrolidin-1-ylethoxy)phenol
SMILESCOc1cc(Cc2ccc(O)cc2OCCN2CCCC2)cc(OC)c1CN1CCCC1
InChIInChI=1S/C26H36N2O4/c1-30-25-16-20(17-26(31-2)23(25)19-28-11-5-6-12-28)15-21-7-8-22(29)18-24(21)32-14-13-27-9-3-4-10-27/h7-8,16-18,29H,3-6,9-15,19H2,1-2H3
InChIKeyWBHZIFUNBDXWOQ-UHFFFAOYSA-N
MW440.58 g/mol
LogP4.07
Rot. Bonds10

About 4-[[3,5-dimethoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-3-(2-pyrrolidin-1-ylethoxy)phenol

4-[[3,5-dimethoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-3-(2-pyrrolidin-1-ylethoxy)phenol (PubChem CID 173255910) has the molecular formula C26H36N2O4 and a molecular weight of 440.58 g/mol. Its IUPAC name is 4-[[3,5-dimethoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-3-(2-pyrrolidin-1-ylethoxy)phenol.

Molecular Properties

Compound Name4-[[3,5-dimethoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-3-(2-pyrrolidin-1-ylethoxy)phenol
PubChem CID173255910
Molecular FormulaC26H36N2O4
Molecular Weight440.58 g/mol
Exact Mass440.27
IUPAC Name4-[[3,5-dimethoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-3-(2-pyrrolidin-1-ylethoxy)phenol
SMILESCOc1cc(Cc2ccc(O)cc2OCCN2CCCC2)cc(OC)c1CN1CCCC1
InChIInChI=1S/C26H36N2O4/c1-30-25-16-20(17-26(31-2)23(25)19-28-11-5-6-12-28)15-21-7-8-22(29)18-24(21)32-14-13-27-9-3-4-10-27/h7-8,16-18,29H,3-6,9-15,19H2,1-2H3
InChIKeyWBHZIFUNBDXWOQ-UHFFFAOYSA-N
XLogP4.07
TPSA54.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.58
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(2-benzylphenoxy)ethyl]-4-[(2,6-dimethoxyphenyl)methyl]piperazine
CID 139743298
[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]methanamine
CID 20987572
1-[2-(2-methoxyphenoxy)ethyl]piperidine
CID 867242
1-[(2,6-dimethoxy-4-methylphenyl)methyl]piperidine
CID 166722775
5-hydroxy-2-(2-piperidin-1-ylethoxy)benzaldehyde
CID 89110267
4-[[3-methoxy-4-(morpholin-4-ylmethyl)phenyl]methyl]-3-[4-(2-pyrrolidin-1-ylethyl)phenyl]phenol
CID 70094550
bis[3,5-dimethoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 57236214
1-[2-(4-benzyl-2-methoxyphenoxy)ethyl]pyrrolidine
CID 10638790
4-[[3-bromo-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]phenol
CID 70091941
4-[(E)-1-[4-[2-(azepan-1-yl)ethoxy]phenyl]-3-(4-methoxyphenyl)-2-methylprop-1-enyl]phenol
CID 155813769
3-[4-methoxy-3-(2-pyrrolidin-1-ylethoxy)phenyl]propanoic acid
CID 20990596
2-[[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]methyl]-1,1-dimethylhydrazine
CID 56700061

Frequently Asked Questions

What is the IUPAC name of 4-[[3,5-dimethoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-3-(2-pyrrolidin-1-ylethoxy)phenol?
The IUPAC name of 4-[[3,5-dimethoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-3-(2-pyrrolidin-1-ylethoxy)phenol (CID 173255910) is 4-[[3,5-dimethoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-3-(2-pyrrolidin-1-ylethoxy)phenol.
What is the SMILES notation for 4-[[3,5-dimethoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-3-(2-pyrrolidin-1-ylethoxy)phenol?
The canonical SMILES for 4-[[3,5-dimethoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-3-(2-pyrrolidin-1-ylethoxy)phenol is COc1cc(Cc2ccc(O)cc2OCCN2CCCC2)cc(OC)c1CN1CCCC1.
What is the InChIKey of 4-[[3,5-dimethoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-3-(2-pyrrolidin-1-ylethoxy)phenol?
The InChIKey is WBHZIFUNBDXWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O4/c1-30-25-16-20(17-26(31-2)23(25)19-28-11-5-6-12-28)15-21-7-8-22(29)18-24(21)32-14-13-27-9-3-4-10-27/h7-8,16-18,29H,3-6,9-15,19H2,1-2H3.
What are the key properties of 4-[[3,5-dimethoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-3-(2-pyrrolidin-1-ylethoxy)phenol?
4-[[3,5-dimethoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-3-(2-pyrrolidin-1-ylethoxy)phenol has a molecular weight of 440.58 g/mol, XLogP of 4.07, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3,5-dimethoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-3-(2-pyrrolidin-1-ylethoxy)phenol is sourced from PubChem (CID 173255910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).