ethyl 2-[(1S,2R)-1-(4-fluorophenyl)-2,3-dihydro-1H-inden-2-yl]acetate

C19H19FO2 — CID 155930746

IUPACethyl 2-[(1S,2R)-1-(4-fluorophenyl)-2,3-dihydro-1H-inden-2-yl]acetate
SMILESCCOC(=O)C[C@H]1Cc2ccccc2[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C19H19FO2/c1-2-22-18(21)12-15-11-14-5-3-4-6-17(14)19(15)13-7-9-16(20)10-8-13/h3-10,15,19H,2,11-12H2,1H3/t15-,19-/m1/s1
InChIKeyIHXQGLHRBMXBRH-DNVCBOLYSA-N
MW298.36 g/mol
LogP4.08
Rot. Bonds4

About ethyl 2-[(1S,2R)-1-(4-fluorophenyl)-2,3-dihydro-1H-inden-2-yl]acetate

ethyl 2-[(1S,2R)-1-(4-fluorophenyl)-2,3-dihydro-1H-inden-2-yl]acetate (PubChem CID 155930746) has the molecular formula C19H19FO2 and a molecular weight of 298.36 g/mol. Its IUPAC name is ethyl 2-[(1S,2R)-1-(4-fluorophenyl)-2,3-dihydro-1H-inden-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(1S,2R)-1-(4-fluorophenyl)-2,3-dihydro-1H-inden-2-yl]acetate
PubChem CID155930746
Molecular FormulaC19H19FO2
Molecular Weight298.36 g/mol
Exact Mass298.14
IUPAC Nameethyl 2-[(1S,2R)-1-(4-fluorophenyl)-2,3-dihydro-1H-inden-2-yl]acetate
SMILESCCOC(=O)C[C@H]1Cc2ccccc2[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C19H19FO2/c1-2-22-18(21)12-15-11-14-5-3-4-6-17(14)19(15)13-7-9-16(20)10-8-13/h3-10,15,19H,2,11-12H2,1H3/t15-,19-/m1/s1
InChIKeyIHXQGLHRBMXBRH-DNVCBOLYSA-N
XLogP4.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethyl 2-[(1S,2R)-1-(4-fluorophenyl)-2,3-dihydro-1H-inden-2-yl]acetate with MolForge

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Related Compounds

Fluorene-9-acetic acid
CID 94852
9H-Fluorene-9,9-dipropanoic acid
CID 20477
9,9-Fluorenedipropionic acid, diethyl ester
CID 33767
K-80003
CID 46224594
3-Phenyl-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester
CID 44332279
3-(4-Fluoro-phenyl)-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester
CID 44332309
methyl 9H-fluorene-9-carboxylate
CID 232396
1-Indanacetic acid, 3-phenyl-
CID 3054945
1-Indanpropionic acid, 3-phenyl-
CID 3055290
Methyl 2,3-dihydro-1H-indene-1-carboxylate
CID 3839612
(2,7-Difluoro-9H-fluoren-9-yl)-acetic acid
CID 44378591
(2-Fluoro-9H-fluoren-9-yl)-acetic acid
CID 44378917

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1S,2R)-1-(4-fluorophenyl)-2,3-dihydro-1H-inden-2-yl]acetate?
The IUPAC name of ethyl 2-[(1S,2R)-1-(4-fluorophenyl)-2,3-dihydro-1H-inden-2-yl]acetate (CID 155930746) is ethyl 2-[(1S,2R)-1-(4-fluorophenyl)-2,3-dihydro-1H-inden-2-yl]acetate.
What is the SMILES notation for ethyl 2-[(1S,2R)-1-(4-fluorophenyl)-2,3-dihydro-1H-inden-2-yl]acetate?
The canonical SMILES for ethyl 2-[(1S,2R)-1-(4-fluorophenyl)-2,3-dihydro-1H-inden-2-yl]acetate is CCOC(=O)C[C@H]1Cc2ccccc2[C@@H]1c1ccc(F)cc1.
What is the InChIKey of ethyl 2-[(1S,2R)-1-(4-fluorophenyl)-2,3-dihydro-1H-inden-2-yl]acetate?
The InChIKey is IHXQGLHRBMXBRH-DNVCBOLYSA-N. The full InChI is InChI=1S/C19H19FO2/c1-2-22-18(21)12-15-11-14-5-3-4-6-17(14)19(15)13-7-9-16(20)10-8-13/h3-10,15,19H,2,11-12H2,1H3/t15-,19-/m1/s1.
What are the key properties of ethyl 2-[(1S,2R)-1-(4-fluorophenyl)-2,3-dihydro-1H-inden-2-yl]acetate?
ethyl 2-[(1S,2R)-1-(4-fluorophenyl)-2,3-dihydro-1H-inden-2-yl]acetate has a molecular weight of 298.36 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1S,2R)-1-(4-fluorophenyl)-2,3-dihydro-1H-inden-2-yl]acetate is sourced from PubChem (CID 155930746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).