2-[(3-chloro-4-fluorophenyl)methyl]-1,3-dihydroindene-2-carboxylic acid

C17H14ClFO2 — CID 103041925

IUPAC2-[(3-chloro-4-fluorophenyl)methyl]-1,3-dihydroindene-2-carboxylic acid
SMILESO=C(O)C1(Cc2ccc(F)c(Cl)c2)Cc2ccccc2C1
InChIInChI=1S/C17H14ClFO2/c18-14-7-11(5-6-15(14)19)8-17(16(20)21)9-12-3-1-2-4-13(12)10-17/h1-7H,8-10H2,(H,20,21)
InChIKeyIPNADIFYTOMILO-UHFFFAOYSA-N
MW304.75 g/mol
LogP3.89
Rot. Bonds3

About 2-[(3-chloro-4-fluorophenyl)methyl]-1,3-dihydroindene-2-carboxylic acid

2-[(3-chloro-4-fluorophenyl)methyl]-1,3-dihydroindene-2-carboxylic acid (PubChem CID 103041925) has the molecular formula C17H14ClFO2 and a molecular weight of 304.75 g/mol. Its IUPAC name is 2-[(3-chloro-4-fluorophenyl)methyl]-1,3-dihydroindene-2-carboxylic acid.

Molecular Properties

Compound Name2-[(3-chloro-4-fluorophenyl)methyl]-1,3-dihydroindene-2-carboxylic acid
PubChem CID103041925
Molecular FormulaC17H14ClFO2
Molecular Weight304.75 g/mol
Exact Mass304.07
IUPAC Name2-[(3-chloro-4-fluorophenyl)methyl]-1,3-dihydroindene-2-carboxylic acid
SMILESO=C(O)C1(Cc2ccc(F)c(Cl)c2)Cc2ccccc2C1
InChIInChI=1S/C17H14ClFO2/c18-14-7-11(5-6-15(14)19)8-17(16(20)21)9-12-3-1-2-4-13(12)10-17/h1-7H,8-10H2,(H,20,21)
InChIKeyIPNADIFYTOMILO-UHFFFAOYSA-N
XLogP3.89
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.75
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(4-methylphenyl)methyl]-1,3-dihydroindene-2-carboxylic acid
CID 65406805
2-[(3-methylphenyl)methyl]-1,3-dihydroindene-2-carboxylic acid
CID 65407765
1-[(3-chloro-4-fluorophenyl)methyl]-3-ethylcyclopentane-1-carboxylic acid
CID 103041924
3-[(4-chlorophenyl)methyl]-2,4-dihydrochromene-3-carboxylic acid
CID 65406792
1-[(4-chloro-3-fluorophenyl)methyl]cycloheptane-1-carboxylic acid
CID 107889012
2-(3-chloro-4-fluorophenyl)-1-phenylethanone
CID 67471302
2-[(2-bromo-5-fluorophenyl)methyl]-1,3-dihydroindene-2-carboxylic acid
CID 65409108
2-(3-chloro-4-fluorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)ethanone
CID 103039403
1-[(3-chloro-4-fluorophenyl)methyl]-3-propylpyrrolidine-3-carboxylic acid
CID 81156835
1-[(3-chloro-4-fluorophenyl)methyl]cyclobutan-1-ol
CID 103039079
[3-[(3-chloro-4-fluorophenyl)methyl]oxetan-3-yl]methanol
CID 116930381
2-[(4-chloro-3-fluorophenyl)methyl]-1,3-dihydroinden-2-amine
CID 107883808

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-fluorophenyl)methyl]-1,3-dihydroindene-2-carboxylic acid?
The IUPAC name of 2-[(3-chloro-4-fluorophenyl)methyl]-1,3-dihydroindene-2-carboxylic acid (CID 103041925) is 2-[(3-chloro-4-fluorophenyl)methyl]-1,3-dihydroindene-2-carboxylic acid.
What is the SMILES notation for 2-[(3-chloro-4-fluorophenyl)methyl]-1,3-dihydroindene-2-carboxylic acid?
The canonical SMILES for 2-[(3-chloro-4-fluorophenyl)methyl]-1,3-dihydroindene-2-carboxylic acid is O=C(O)C1(Cc2ccc(F)c(Cl)c2)Cc2ccccc2C1.
What is the InChIKey of 2-[(3-chloro-4-fluorophenyl)methyl]-1,3-dihydroindene-2-carboxylic acid?
The InChIKey is IPNADIFYTOMILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFO2/c18-14-7-11(5-6-15(14)19)8-17(16(20)21)9-12-3-1-2-4-13(12)10-17/h1-7H,8-10H2,(H,20,21).
What are the key properties of 2-[(3-chloro-4-fluorophenyl)methyl]-1,3-dihydroindene-2-carboxylic acid?
2-[(3-chloro-4-fluorophenyl)methyl]-1,3-dihydroindene-2-carboxylic acid has a molecular weight of 304.75 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-fluorophenyl)methyl]-1,3-dihydroindene-2-carboxylic acid is sourced from PubChem (CID 103041925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).