[1-(4-chlorobenzoyl)-4-ethyl-5-hydroxy-2-methylindol-3-yl] acetate

C20H18ClNO4 — CID 69487470

IUPAC[1-(4-chlorobenzoyl)-4-ethyl-5-hydroxy-2-methylindol-3-yl] acetate
SMILESCCc1c(O)ccc2c1c(OC(C)=O)c(C)n2C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H18ClNO4/c1-4-15-17(24)10-9-16-18(15)19(26-12(3)23)11(2)22(16)20(25)13-5-7-14(21)8-6-13/h5-10,24H,4H2,1-3H3
InChIKeyADWROVMFPHOZEG-UHFFFAOYSA-N
MW371.82 g/mol
LogP4.48
Rot. Bonds3

About [1-(4-chlorobenzoyl)-4-ethyl-5-hydroxy-2-methylindol-3-yl] acetate

[1-(4-chlorobenzoyl)-4-ethyl-5-hydroxy-2-methylindol-3-yl] acetate (PubChem CID 69487470) has the molecular formula C20H18ClNO4 and a molecular weight of 371.82 g/mol. Its IUPAC name is [1-(4-chlorobenzoyl)-4-ethyl-5-hydroxy-2-methylindol-3-yl] acetate.

Molecular Properties

Compound Name[1-(4-chlorobenzoyl)-4-ethyl-5-hydroxy-2-methylindol-3-yl] acetate
PubChem CID69487470
Molecular FormulaC20H18ClNO4
Molecular Weight371.82 g/mol
Exact Mass371.09
IUPAC Name[1-(4-chlorobenzoyl)-4-ethyl-5-hydroxy-2-methylindol-3-yl] acetate
SMILESCCc1c(O)ccc2c1c(OC(C)=O)c(C)n2C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H18ClNO4/c1-4-15-17(24)10-9-16-18(15)19(26-12(3)23)11(2)22(16)20(25)13-5-7-14(21)8-6-13/h5-10,24H,4H2,1-3H3
InChIKeyADWROVMFPHOZEG-UHFFFAOYSA-N
XLogP4.48
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-butyl-1-(4-chlorobenzoyl)-5-hydroxy-2-methylindol-3-yl] acetate
CID 69485119
potassium;[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl] acetate;hydride
CID 173442022
(4-chlorophenyl)-(3-ethyl-5-methoxy-2-methylindol-1-yl)methanone
CID 15320026
[1-(3-chlorobenzoyl)-4-cyclobutyl-5-hydroxy-2-methylindol-3-yl] acetate
CID 69487460
propan-2-yl 2-[1-(4-chlorobenzoyl)-4-fluoro-5-hydroxy-2-methylindol-3-yl]acetate
CID 91359129
3-[[2-[4-chloro-1-(4-chlorobenzoyl)-5-hydroxy-2-methylindol-3-yl]acetyl]amino]-2-methylpropanoic acid
CID 69488235
2-[[2-[4-chloro-1-(4-chlorobenzoyl)-5-hydroxy-2-methylindol-3-yl]acetyl]amino]-2-methylpropanoic acid
CID 69485847
[2-[1-(4-chlorobenzoyl)-4-methoxy-2-methylindol-3-yl]oxy-2-oxoethyl] 2-[1-(4-chlorobenzoyl)-4-methoxy-2-methylindol-3-yl]acetate
CID 67638409
methyl 2-[1-(4-chlorobenzoyl)-4-fluoro-5-hydroxy-2-methylindol-3-yl]propanoate
CID 91420812
[5-methoxy-2,4-dimethyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl] acetate
CID 173186496
[6-chloro-3-(2,2-dihydroxyethyl)-5-hydroxy-2-methylindol-1-yl]-(4-chlorophenyl)methanone
CID 91121279
tert-butyl 2-[1-(4-chlorobenzoyl)-6-fluoro-5-hydroxy-2-methylindol-3-yl]acetate
CID 91458818

Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorobenzoyl)-4-ethyl-5-hydroxy-2-methylindol-3-yl] acetate?
The IUPAC name of [1-(4-chlorobenzoyl)-4-ethyl-5-hydroxy-2-methylindol-3-yl] acetate (CID 69487470) is [1-(4-chlorobenzoyl)-4-ethyl-5-hydroxy-2-methylindol-3-yl] acetate.
What is the SMILES notation for [1-(4-chlorobenzoyl)-4-ethyl-5-hydroxy-2-methylindol-3-yl] acetate?
The canonical SMILES for [1-(4-chlorobenzoyl)-4-ethyl-5-hydroxy-2-methylindol-3-yl] acetate is CCc1c(O)ccc2c1c(OC(C)=O)c(C)n2C(=O)c1ccc(Cl)cc1.
What is the InChIKey of [1-(4-chlorobenzoyl)-4-ethyl-5-hydroxy-2-methylindol-3-yl] acetate?
The InChIKey is ADWROVMFPHOZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO4/c1-4-15-17(24)10-9-16-18(15)19(26-12(3)23)11(2)22(16)20(25)13-5-7-14(21)8-6-13/h5-10,24H,4H2,1-3H3.
What are the key properties of [1-(4-chlorobenzoyl)-4-ethyl-5-hydroxy-2-methylindol-3-yl] acetate?
[1-(4-chlorobenzoyl)-4-ethyl-5-hydroxy-2-methylindol-3-yl] acetate has a molecular weight of 371.82 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorobenzoyl)-4-ethyl-5-hydroxy-2-methylindol-3-yl] acetate is sourced from PubChem (CID 69487470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).