ethyl 2-[2-[(6-chloro-4-methyl-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]acetate

C20H21ClO3 — CID 170559577

IUPACethyl 2-[2-[(6-chloro-4-methyl-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]acetate
SMILESCCOC(=O)Cc1ccccc1OC1CCc2c(C)cc(Cl)cc21
InChIInChI=1S/C20H21ClO3/c1-3-23-20(22)11-14-6-4-5-7-18(14)24-19-9-8-16-13(2)10-15(21)12-17(16)19/h4-7,10,12,19H,3,8-9,11H2,1-2H3
InChIKeyDKWFWBRJOVMSST-UHFFFAOYSA-N
MW344.84 g/mol
LogP4.82
Rot. Bonds5

About ethyl 2-[2-[(6-chloro-4-methyl-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]acetate

ethyl 2-[2-[(6-chloro-4-methyl-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]acetate (PubChem CID 170559577) has the molecular formula C20H21ClO3 and a molecular weight of 344.84 g/mol. Its IUPAC name is ethyl 2-[2-[(6-chloro-4-methyl-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[(6-chloro-4-methyl-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]acetate
PubChem CID170559577
Molecular FormulaC20H21ClO3
Molecular Weight344.84 g/mol
Exact Mass344.12
IUPAC Nameethyl 2-[2-[(6-chloro-4-methyl-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]acetate
SMILESCCOC(=O)Cc1ccccc1OC1CCc2c(C)cc(Cl)cc21
InChIInChI=1S/C20H21ClO3/c1-3-23-20(22)11-14-6-4-5-7-18(14)24-19-9-8-16-13(2)10-15(21)12-17(16)19/h4-7,10,12,19H,3,8-9,11H2,1-2H3
InChIKeyDKWFWBRJOVMSST-UHFFFAOYSA-N
XLogP4.82
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 2-[2-[(6-chloro-4-methyl-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]acetate with MolForge

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Related Compounds

ethyl 2-[2-[[(1S)-6-bromo-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]acetate
CID 170559394
ethyl 2-[4,7-dichloro-6-[(2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)oxy]-1-benzothiophen-3-yl]acetate
CID 160972320
ethyl 2-[2-(6-bromospiro[1,2-dihydroindene-3,1'-cyclohexane]-1-yl)oxyphenyl]acetate
CID 170558940
ethyl 2-(5-chloro-2-fluoro-3-methylphenyl)acetate
CID 171028434
ethyl 2-(2-ethylphenyl)acetate
CID 45489731
(1R)-6-bromo-1-[2-(2-ethoxy-2-oxoethyl)phenoxy]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylic acid
CID 175498483
(1R)-6-chloro-4-methyl-2,3-dihydro-1H-inden-1-amine
CID 55275438
ethyl 2-[2-(chloromethyl)phenyl]acetate
CID 13386156
4-[[5-chloro-2-ethoxy-4-[[(1S)-4-methyl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]methyl-methylamino]butan-2-one
CID 174163807
ethyl 2-(2-butan-2-yloxyphenyl)acetate
CID 152870971
ethyl 2-[2-chloro-3-(difluoromethoxy)phenyl]acetate
CID 171028407
methyl (1S)-6-bromo-1-[2-(2-ethoxy-2-oxoethyl)phenoxy]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate
CID 170558994

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(6-chloro-4-methyl-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]acetate?
The IUPAC name of ethyl 2-[2-[(6-chloro-4-methyl-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]acetate (CID 170559577) is ethyl 2-[2-[(6-chloro-4-methyl-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]acetate.
What is the SMILES notation for ethyl 2-[2-[(6-chloro-4-methyl-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]acetate?
The canonical SMILES for ethyl 2-[2-[(6-chloro-4-methyl-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]acetate is CCOC(=O)Cc1ccccc1OC1CCc2c(C)cc(Cl)cc21.
What is the InChIKey of ethyl 2-[2-[(6-chloro-4-methyl-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]acetate?
The InChIKey is DKWFWBRJOVMSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClO3/c1-3-23-20(22)11-14-6-4-5-7-18(14)24-19-9-8-16-13(2)10-15(21)12-17(16)19/h4-7,10,12,19H,3,8-9,11H2,1-2H3.
What are the key properties of ethyl 2-[2-[(6-chloro-4-methyl-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]acetate?
ethyl 2-[2-[(6-chloro-4-methyl-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]acetate has a molecular weight of 344.84 g/mol, XLogP of 4.82, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(6-chloro-4-methyl-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]acetate is sourced from PubChem (CID 170559577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).