2-[6-(2-chlorophenyl)-3-oxo-1,2-dihydroinden-2-yl]acetic acid

C17H13ClO3 — CID 167826845

IUPAC2-[6-(2-chlorophenyl)-3-oxo-1,2-dihydroinden-2-yl]acetic acid
SMILESO=C(O)CC1Cc2cc(-c3ccccc3Cl)ccc2C1=O
InChIInChI=1S/C17H13ClO3/c18-15-4-2-1-3-13(15)10-5-6-14-11(7-10)8-12(17(14)21)9-16(19)20/h1-7,12H,8-9H2,(H,19,20)
InChIKeyBXTZVUCSEMNLGD-UHFFFAOYSA-N
MW300.74 g/mol
LogP3.84
Rot. Bonds3

About 2-[6-(2-chlorophenyl)-3-oxo-1,2-dihydroinden-2-yl]acetic acid

2-[6-(2-chlorophenyl)-3-oxo-1,2-dihydroinden-2-yl]acetic acid (PubChem CID 167826845) has the molecular formula C17H13ClO3 and a molecular weight of 300.74 g/mol. Its IUPAC name is 2-[6-(2-chlorophenyl)-3-oxo-1,2-dihydroinden-2-yl]acetic acid.

Molecular Properties

Compound Name2-[6-(2-chlorophenyl)-3-oxo-1,2-dihydroinden-2-yl]acetic acid
PubChem CID167826845
Molecular FormulaC17H13ClO3
Molecular Weight300.74 g/mol
Exact Mass300.06
IUPAC Name2-[6-(2-chlorophenyl)-3-oxo-1,2-dihydroinden-2-yl]acetic acid
SMILESO=C(O)CC1Cc2cc(-c3ccccc3Cl)ccc2C1=O
InChIInChI=1S/C17H13ClO3/c18-15-4-2-1-3-13(15)10-5-6-14-11(7-10)8-12(17(14)21)9-16(19)20/h1-7,12H,8-9H2,(H,19,20)
InChIKeyBXTZVUCSEMNLGD-UHFFFAOYSA-N
XLogP3.84
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.74
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(6-chloro-3-oxo-1,2-dihydroinden-2-yl)acetic acid
CID 18424529
2-[(2S)-6-fluoro-3-oxo-1,2-dihydroinden-2-yl]acetic acid
CID 93492412
2-[3-oxo-5-[2-(trifluoromethyl)phenyl]-1,2-dihydroinden-2-yl]acetic acid
CID 166398751
2-(4-chloro-3-oxo-1,2-dihydroinden-2-yl)acetic acid
CID 151555538
2-[6-[4-[(3-methylphenyl)carbamoylamino]phenyl]-3-oxo-1,2-dihydroinden-2-yl]acetic acid
CID 71062802
2-[2-chloro-4-(2-chlorophenyl)phenyl]acetic acid
CID 176516186
2-[[5-(2-chlorophenyl)-1,3-dioxoindene-2-carbonyl]amino]acetic acid
CID 90834960
2-(9-chloro-5-oxo-3,4-dihydro-2H-1-benzothiepin-4-yl)acetic acid
CID 14578876
2-(2-methyl-1,5-dioxo-3,4-dihydro-2-benzazepin-4-yl)acetic acid
CID 139822099
2-[(3,4-dichlorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-one
CID 63399483
(2R)-2-[[(2R)-3-oxo-1,2-dihydroinden-2-yl]methyl]-2,3-dihydroinden-1-one
CID 910021
2-(2-fluoroethyl)-2,3-dihydroinden-1-one
CID 80695760

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-chlorophenyl)-3-oxo-1,2-dihydroinden-2-yl]acetic acid?
The IUPAC name of 2-[6-(2-chlorophenyl)-3-oxo-1,2-dihydroinden-2-yl]acetic acid (CID 167826845) is 2-[6-(2-chlorophenyl)-3-oxo-1,2-dihydroinden-2-yl]acetic acid.
What is the SMILES notation for 2-[6-(2-chlorophenyl)-3-oxo-1,2-dihydroinden-2-yl]acetic acid?
The canonical SMILES for 2-[6-(2-chlorophenyl)-3-oxo-1,2-dihydroinden-2-yl]acetic acid is O=C(O)CC1Cc2cc(-c3ccccc3Cl)ccc2C1=O.
What is the InChIKey of 2-[6-(2-chlorophenyl)-3-oxo-1,2-dihydroinden-2-yl]acetic acid?
The InChIKey is BXTZVUCSEMNLGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClO3/c18-15-4-2-1-3-13(15)10-5-6-14-11(7-10)8-12(17(14)21)9-16(19)20/h1-7,12H,8-9H2,(H,19,20).
What are the key properties of 2-[6-(2-chlorophenyl)-3-oxo-1,2-dihydroinden-2-yl]acetic acid?
2-[6-(2-chlorophenyl)-3-oxo-1,2-dihydroinden-2-yl]acetic acid has a molecular weight of 300.74 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-chlorophenyl)-3-oxo-1,2-dihydroinden-2-yl]acetic acid is sourced from PubChem (CID 167826845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).