methyl 1-[2-(4-chloro-3-methylphenoxy)ethyl]indole-6-carboxylate

C19H18ClNO3 — CID 4985597

IUPACmethyl 1-[2-(4-chloro-3-methylphenoxy)ethyl]indole-6-carboxylate
SMILESCOC(=O)c1ccc2ccn(CCOc3ccc(Cl)c(C)c3)c2c1
InChIInChI=1S/C19H18ClNO3/c1-13-11-16(5-6-17(13)20)24-10-9-21-8-7-14-3-4-15(12-18(14)21)19(22)23-2/h3-8,11-12H,9-10H2,1-2H3
InChIKeyBCFKTTGWXJQEDF-UHFFFAOYSA-N
MW343.81 g/mol
LogP4.47
Rot. Bonds5

About methyl 1-[2-(4-chloro-3-methylphenoxy)ethyl]indole-6-carboxylate

methyl 1-[2-(4-chloro-3-methylphenoxy)ethyl]indole-6-carboxylate (PubChem CID 4985597) has the molecular formula C19H18ClNO3 and a molecular weight of 343.81 g/mol. Its IUPAC name is methyl 1-[2-(4-chloro-3-methylphenoxy)ethyl]indole-6-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(4-chloro-3-methylphenoxy)ethyl]indole-6-carboxylate
PubChem CID4985597
Molecular FormulaC19H18ClNO3
Molecular Weight343.81 g/mol
Exact Mass343.10
IUPAC Namemethyl 1-[2-(4-chloro-3-methylphenoxy)ethyl]indole-6-carboxylate
SMILESCOC(=O)c1ccc2ccn(CCOc3ccc(Cl)c(C)c3)c2c1
InChIInChI=1S/C19H18ClNO3/c1-13-11-16(5-6-17(13)20)24-10-9-21-8-7-14-3-4-15(12-18(14)21)19(22)23-2/h3-8,11-12H,9-10H2,1-2H3
InChIKeyBCFKTTGWXJQEDF-UHFFFAOYSA-N
XLogP4.47
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-[2-(4-fluorophenoxy)ethyl]indole-6-carboxylate
CID 5191010
methyl 1-[2-[3-(methylaminomethyl)phenoxy]ethyl]indole-6-carboxylate
CID 170703946
methyl 1-ethylindole-6-carboxylate
CID 22467242
methyl 4-chloro-3-[2-(4-chloro-3-methylphenoxy)ethylcarbamoylamino]benzoate
CID 112976758
methyl 1-[2-[3-[(dimethylamino)methyl]phenoxy]ethyl]indole-6-carboxylate;methyl 1-[2-(3-formylphenoxy)ethyl]indole-6-carboxylate;N-methylmethanamine
CID 158788090
methyl 1-(2-methoxyethyl)indole-5-carboxylate
CID 67169484
1-[2-(2-hydroxyethoxy)ethyl]indole-6-carboxylic acid
CID 63748417
N'-[2-(4-chloro-3-methylphenoxy)acetyl]-4-(2-methoxyethoxy)benzohydrazide
CID 17353570
1-[2-(4-chloro-2-fluorophenoxy)ethyl]-N-hydroxyindole-6-carboxamide
CID 87266182
methyl 3-chloro-4-[2-(4-methoxyphenoxy)ethoxy]benzoate
CID 112772161
methyl 6-(3-piperidin-1-ylpropoxy)naphthalene-2-carboxylate
CID 58933893
N-(benzenesulfonyl)-2-[1-[3-(4-chloro-3,5-dimethylphenoxy)propyl]indol-6-yl]oxyacetamide
CID 141472160

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(4-chloro-3-methylphenoxy)ethyl]indole-6-carboxylate?
The IUPAC name of methyl 1-[2-(4-chloro-3-methylphenoxy)ethyl]indole-6-carboxylate (CID 4985597) is methyl 1-[2-(4-chloro-3-methylphenoxy)ethyl]indole-6-carboxylate.
What is the SMILES notation for methyl 1-[2-(4-chloro-3-methylphenoxy)ethyl]indole-6-carboxylate?
The canonical SMILES for methyl 1-[2-(4-chloro-3-methylphenoxy)ethyl]indole-6-carboxylate is COC(=O)c1ccc2ccn(CCOc3ccc(Cl)c(C)c3)c2c1.
What is the InChIKey of methyl 1-[2-(4-chloro-3-methylphenoxy)ethyl]indole-6-carboxylate?
The InChIKey is BCFKTTGWXJQEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClNO3/c1-13-11-16(5-6-17(13)20)24-10-9-21-8-7-14-3-4-15(12-18(14)21)19(22)23-2/h3-8,11-12H,9-10H2,1-2H3.
What are the key properties of methyl 1-[2-(4-chloro-3-methylphenoxy)ethyl]indole-6-carboxylate?
methyl 1-[2-(4-chloro-3-methylphenoxy)ethyl]indole-6-carboxylate has a molecular weight of 343.81 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(4-chloro-3-methylphenoxy)ethyl]indole-6-carboxylate is sourced from PubChem (CID 4985597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).