4-[1-[[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]methyl]-3-methyl-5-phenylmethoxyindol-2-yl]phenol

C37H40N2O4 — CID 58899419

IUPAC4-[1-[[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]methyl]-3-methyl-5-phenylmethoxyindol-2-yl]phenol
SMILESCOc1cc(Cn2c(-c3ccc(O)cc3)c(C)c3cc(OCc4ccccc4)ccc32)ccc1OCCN1CCCCC1
InChIInChI=1S/C37H40N2O4/c1-27-33-24-32(43-26-28-9-5-3-6-10-28)16-17-34(33)39(37(27)30-12-14-31(40)15-13-30)25-29-11-18-35(36(23-29)41-2)42-22-21-38-19-7-4-8-20-38/h3,5-6,9-18,23-24,40H,4,7-8,19-22,25-26H2,1-2H3
InChIKeyDRFDZNNGLWVOLK-UHFFFAOYSA-N
MW576.74 g/mol
LogP7.82
Rot. Bonds11

About 4-[1-[[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]methyl]-3-methyl-5-phenylmethoxyindol-2-yl]phenol

4-[1-[[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]methyl]-3-methyl-5-phenylmethoxyindol-2-yl]phenol (PubChem CID 58899419) has the molecular formula C37H40N2O4 and a molecular weight of 576.74 g/mol. Its IUPAC name is 4-[1-[[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]methyl]-3-methyl-5-phenylmethoxyindol-2-yl]phenol.

Molecular Properties

Compound Name4-[1-[[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]methyl]-3-methyl-5-phenylmethoxyindol-2-yl]phenol
PubChem CID58899419
Molecular FormulaC37H40N2O4
Molecular Weight576.74 g/mol
Exact Mass576.30
IUPAC Name4-[1-[[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]methyl]-3-methyl-5-phenylmethoxyindol-2-yl]phenol
SMILESCOc1cc(Cn2c(-c3ccc(O)cc3)c(C)c3cc(OCc4ccccc4)ccc32)ccc1OCCN1CCCCC1
InChIInChI=1S/C37H40N2O4/c1-27-33-24-32(43-26-28-9-5-3-6-10-28)16-17-34(33)39(37(27)30-12-14-31(40)15-13-30)25-29-11-18-35(36(23-29)41-2)42-22-21-38-19-7-4-8-20-38/h3,5-6,9-18,23-24,40H,4,7-8,19-22,25-26H2,1-2H3
InChIKeyDRFDZNNGLWVOLK-UHFFFAOYSA-N
XLogP7.82
TPSA56.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.74
LogP ≤ 57.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[1-[[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]methyl]-3-methyl-5-phenylmethoxyindol-2-yl]phenol with MolForge

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

Launch Full Analysis

Related Compounds

1-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-3-methyl-5-phenylmethoxy-2-(4-phenylmethoxyphenyl)indole;(Z)-but-2-enedioic acid
CID 71502610
3-methyl-2-(4-phenylmethoxyphenyl)-1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]indol-5-ol
CID 20747240
1-[[4-[2-(3-methoxypiperidin-1-yl)ethoxy]phenyl]methyl]-3-methyl-5-phenylmethoxy-2-(4-phenylmethoxyphenyl)indole
CID 10168648
4-[4-[3-methyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indol-2-yl]phenyl]phenol
CID 174448613
1-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-5-methoxy-2-(4-methoxyphenyl)-3-methylindole;hydrochloride
CID 10302204
2-(4-hydroxy-3-methoxyphenyl)-3-methyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indol-5-ol;hydrochloride
CID 10301731
1-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-2-(4-hydroxyphenyl)-3-methylindol-5-ol;propanedioic acid
CID 25207257
1-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-2-(3-fluoro-4-phenylmethoxyphenyl)-3-methylindole
CID 90967728
1-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-5-(2-methoxyethoxymethoxy)-2-[4-(2-methoxyethoxymethoxy)phenyl]-3-methylindole
CID 153406433
1-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-5-(2-ethoxyethoxy)-2-[4-(2-ethoxyethoxy)phenyl]-3-methylindole
CID 153406432
2-(2,4-dimethoxyphenyl)-3-methyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indol-5-ol
CID 10207216
methyl (2S,3R,4S,5R,6S)-4,5-diacetyl-3-acetyloxy-6-[4-[1-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-3-methyl-5-phenylmethoxyindol-2-yl]phenoxy]-4,5-dihydroxyoxane-2-carboxylate
CID 86586010

Frequently Asked Questions

What is the IUPAC name of 4-[1-[[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]methyl]-3-methyl-5-phenylmethoxyindol-2-yl]phenol?
The IUPAC name of 4-[1-[[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]methyl]-3-methyl-5-phenylmethoxyindol-2-yl]phenol (CID 58899419) is 4-[1-[[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]methyl]-3-methyl-5-phenylmethoxyindol-2-yl]phenol.
What is the SMILES notation for 4-[1-[[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]methyl]-3-methyl-5-phenylmethoxyindol-2-yl]phenol?
The canonical SMILES for 4-[1-[[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]methyl]-3-methyl-5-phenylmethoxyindol-2-yl]phenol is COc1cc(Cn2c(-c3ccc(O)cc3)c(C)c3cc(OCc4ccccc4)ccc32)ccc1OCCN1CCCCC1.
What is the InChIKey of 4-[1-[[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]methyl]-3-methyl-5-phenylmethoxyindol-2-yl]phenol?
The InChIKey is DRFDZNNGLWVOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H40N2O4/c1-27-33-24-32(43-26-28-9-5-3-6-10-28)16-17-34(33)39(37(27)30-12-14-31(40)15-13-30)25-29-11-18-35(36(23-29)41-2)42-22-21-38-19-7-4-8-20-38/h3,5-6,9-18,23-24,40H,4,7-8,19-22,25-26H2,1-2H3.
What are the key properties of 4-[1-[[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]methyl]-3-methyl-5-phenylmethoxyindol-2-yl]phenol?
4-[1-[[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]methyl]-3-methyl-5-phenylmethoxyindol-2-yl]phenol has a molecular weight of 576.74 g/mol, XLogP of 7.82, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]methyl]-3-methyl-5-phenylmethoxyindol-2-yl]phenol is sourced from PubChem (CID 58899419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).