methyl 6-chloro-5-[4-(2-hydroxypropan-2-yl)-3-methoxyphenyl]-1H-indole-3-carboxylate

C20H20ClNO4 — CID 86698700

IUPACmethyl 6-chloro-5-[4-(2-hydroxypropan-2-yl)-3-methoxyphenyl]-1H-indole-3-carboxylate
SMILESCOC(=O)c1c[nH]c2cc(Cl)c(-c3ccc(C(C)(C)O)c(OC)c3)cc12
InChIInChI=1S/C20H20ClNO4/c1-20(2,24)15-6-5-11(7-18(15)25-3)12-8-13-14(19(23)26-4)10-22-17(13)9-16(12)21/h5-10,22,24H,1-4H3
InChIKeyRJCXGJSGHVKWMS-UHFFFAOYSA-N
MW373.84 g/mol
LogP4.51
Rot. Bonds4

About methyl 6-chloro-5-[4-(2-hydroxypropan-2-yl)-3-methoxyphenyl]-1H-indole-3-carboxylate

methyl 6-chloro-5-[4-(2-hydroxypropan-2-yl)-3-methoxyphenyl]-1H-indole-3-carboxylate (PubChem CID 86698700) has the molecular formula C20H20ClNO4 and a molecular weight of 373.84 g/mol. Its IUPAC name is methyl 6-chloro-5-[4-(2-hydroxypropan-2-yl)-3-methoxyphenyl]-1H-indole-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-chloro-5-[4-(2-hydroxypropan-2-yl)-3-methoxyphenyl]-1H-indole-3-carboxylate
PubChem CID86698700
Molecular FormulaC20H20ClNO4
Molecular Weight373.84 g/mol
Exact Mass373.11
IUPAC Namemethyl 6-chloro-5-[4-(2-hydroxypropan-2-yl)-3-methoxyphenyl]-1H-indole-3-carboxylate
SMILESCOC(=O)c1c[nH]c2cc(Cl)c(-c3ccc(C(C)(C)O)c(OC)c3)cc12
InChIInChI=1S/C20H20ClNO4/c1-20(2,24)15-6-5-11(7-18(15)25-3)12-8-13-14(19(23)26-4)10-22-17(13)9-16(12)21/h5-10,22,24H,1-4H3
InChIKeyRJCXGJSGHVKWMS-UHFFFAOYSA-N
XLogP4.51
TPSA71.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 6-chloro-5-[4-(2-hydroxypropan-2-yl)-3-methoxyphenyl]-1H-indole-3-carboxylate 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

PF-06409577
CID 71748255
6-chloro-5-(6-(dimethylamino)-2-methoxypyridin-3-yl)-1H-indole-3-carboxylic acid
CID 71767991
4-((1-benzhydryl-6-chloro-1H-indol-3-yl)methyl)-3-methoxybenzoic acid
CID 9848070
6-Chloro-5-[4-(2-methoxyethoxy)phenyl]-1h-indole-3-carboxylic acid
CID 71765798
6-Chloro-5-(4-methoxy-phenyl)-1H-indole-3-carboxylic acid
CID 71765801
6-chloro-5-{4-[3-(morpholin-4-yl)propoxy]phenyl}-1H-indole-3-carboxylic acid
CID 71765951
6-chloro-5-(2'-hydroxybiphenyl-4-yl)-1H-indole-3-carboxylic acid
CID 71765955
6-chloro-5-[4-(2-hydroxyethoxy)phenyl]-1H-indole-3-carboxylic acid
CID 71766100
6-Chloro-5-[4-(hydroxymethyl)phenyl]-1H-indole-3-carboxylic acid
CID 86698571
6-chloro-5-[4-(oxan-2-yl)phenyl]-1H-indole-3-carboxylic acid
CID 89837093
6-chloro-5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-indole-3-carboxylic acid
CID 71767830
2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(5-methoxy-1H-indol-3-yl)ethanone
CID 73057398

Frequently Asked Questions

What is the IUPAC name of methyl 6-chloro-5-[4-(2-hydroxypropan-2-yl)-3-methoxyphenyl]-1H-indole-3-carboxylate?
The IUPAC name of methyl 6-chloro-5-[4-(2-hydroxypropan-2-yl)-3-methoxyphenyl]-1H-indole-3-carboxylate (CID 86698700) is methyl 6-chloro-5-[4-(2-hydroxypropan-2-yl)-3-methoxyphenyl]-1H-indole-3-carboxylate.
What is the SMILES notation for methyl 6-chloro-5-[4-(2-hydroxypropan-2-yl)-3-methoxyphenyl]-1H-indole-3-carboxylate?
The canonical SMILES for methyl 6-chloro-5-[4-(2-hydroxypropan-2-yl)-3-methoxyphenyl]-1H-indole-3-carboxylate is COC(=O)c1c[nH]c2cc(Cl)c(-c3ccc(C(C)(C)O)c(OC)c3)cc12.
What is the InChIKey of methyl 6-chloro-5-[4-(2-hydroxypropan-2-yl)-3-methoxyphenyl]-1H-indole-3-carboxylate?
The InChIKey is RJCXGJSGHVKWMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClNO4/c1-20(2,24)15-6-5-11(7-18(15)25-3)12-8-13-14(19(23)26-4)10-22-17(13)9-16(12)21/h5-10,22,24H,1-4H3.
What are the key properties of methyl 6-chloro-5-[4-(2-hydroxypropan-2-yl)-3-methoxyphenyl]-1H-indole-3-carboxylate?
methyl 6-chloro-5-[4-(2-hydroxypropan-2-yl)-3-methoxyphenyl]-1H-indole-3-carboxylate has a molecular weight of 373.84 g/mol, XLogP of 4.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-chloro-5-[4-(2-hydroxypropan-2-yl)-3-methoxyphenyl]-1H-indole-3-carboxylate is sourced from PubChem (CID 86698700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).