methyl 3-[3-chloro-4-(2,3-dihydro-1H-inden-1-yloxy)phenyl]propanoate

C19H19ClO3 — CID 23136267

IUPACmethyl 3-[3-chloro-4-(2,3-dihydro-1H-inden-1-yloxy)phenyl]propanoate
SMILESCOC(=O)CCc1ccc(OC2CCc3ccccc32)c(Cl)c1
InChIInChI=1S/C19H19ClO3/c1-22-19(21)11-7-13-6-9-18(16(20)12-13)23-17-10-8-14-4-2-3-5-15(14)17/h2-6,9,12,17H,7-8,10-11H2,1H3
InChIKeyZCORIVCGBSKQAT-UHFFFAOYSA-N
MW330.81 g/mol
LogP4.51
Rot. Bonds5

About methyl 3-[3-chloro-4-(2,3-dihydro-1H-inden-1-yloxy)phenyl]propanoate

methyl 3-[3-chloro-4-(2,3-dihydro-1H-inden-1-yloxy)phenyl]propanoate (PubChem CID 23136267) has the molecular formula C19H19ClO3 and a molecular weight of 330.81 g/mol. Its IUPAC name is methyl 3-[3-chloro-4-(2,3-dihydro-1H-inden-1-yloxy)phenyl]propanoate.

Molecular Properties

Compound Namemethyl 3-[3-chloro-4-(2,3-dihydro-1H-inden-1-yloxy)phenyl]propanoate
PubChem CID23136267
Molecular FormulaC19H19ClO3
Molecular Weight330.81 g/mol
Exact Mass330.10
IUPAC Namemethyl 3-[3-chloro-4-(2,3-dihydro-1H-inden-1-yloxy)phenyl]propanoate
SMILESCOC(=O)CCc1ccc(OC2CCc3ccccc32)c(Cl)c1
InChIInChI=1S/C19H19ClO3/c1-22-19(21)11-7-13-6-9-18(16(20)12-13)23-17-10-8-14-4-2-3-5-15(14)17/h2-6,9,12,17H,7-8,10-11H2,1H3
InChIKeyZCORIVCGBSKQAT-UHFFFAOYSA-N
XLogP4.51
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.81
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-chloro-4-(2,3-dihydro-1H-inden-1-yloxy)phenyl]propanoate?
The IUPAC name of methyl 3-[3-chloro-4-(2,3-dihydro-1H-inden-1-yloxy)phenyl]propanoate (CID 23136267) is methyl 3-[3-chloro-4-(2,3-dihydro-1H-inden-1-yloxy)phenyl]propanoate.
What is the SMILES notation for methyl 3-[3-chloro-4-(2,3-dihydro-1H-inden-1-yloxy)phenyl]propanoate?
The canonical SMILES for methyl 3-[3-chloro-4-(2,3-dihydro-1H-inden-1-yloxy)phenyl]propanoate is COC(=O)CCc1ccc(OC2CCc3ccccc32)c(Cl)c1.
What is the InChIKey of methyl 3-[3-chloro-4-(2,3-dihydro-1H-inden-1-yloxy)phenyl]propanoate?
The InChIKey is ZCORIVCGBSKQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClO3/c1-22-19(21)11-7-13-6-9-18(16(20)12-13)23-17-10-8-14-4-2-3-5-15(14)17/h2-6,9,12,17H,7-8,10-11H2,1H3.
What are the key properties of methyl 3-[3-chloro-4-(2,3-dihydro-1H-inden-1-yloxy)phenyl]propanoate?
methyl 3-[3-chloro-4-(2,3-dihydro-1H-inden-1-yloxy)phenyl]propanoate has a molecular weight of 330.81 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-chloro-4-(2,3-dihydro-1H-inden-1-yloxy)phenyl]propanoate is sourced from PubChem (CID 23136267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).