2-(6,7-dichloro-2-methyl-1-oxo-2-phenyl-3H-inden-5-yl)acetic acid

C18H14Cl2O3 — CID 12540266

IUPAC2-(6,7-dichloro-2-methyl-1-oxo-2-phenyl-3H-inden-5-yl)acetic acid
SMILESCC1(c2ccccc2)Cc2cc(CC(=O)O)c(Cl)c(Cl)c2C1=O
InChIInChI=1S/C18H14Cl2O3/c1-18(12-5-3-2-4-6-12)9-11-7-10(8-13(21)22)15(19)16(20)14(11)17(18)23/h2-7H,8-9H2,1H3,(H,21,22)
InChIKeyBNCNKCGGYHLMHT-UHFFFAOYSA-N
MW349.21 g/mol
LogP4.32
Rot. Bonds3

About 2-(6,7-dichloro-2-methyl-1-oxo-2-phenyl-3H-inden-5-yl)acetic acid

2-(6,7-dichloro-2-methyl-1-oxo-2-phenyl-3H-inden-5-yl)acetic acid (PubChem CID 12540266) has the molecular formula C18H14Cl2O3 and a molecular weight of 349.21 g/mol. Its IUPAC name is 2-(6,7-dichloro-2-methyl-1-oxo-2-phenyl-3H-inden-5-yl)acetic acid.

Molecular Properties

Compound Name2-(6,7-dichloro-2-methyl-1-oxo-2-phenyl-3H-inden-5-yl)acetic acid
PubChem CID12540266
Molecular FormulaC18H14Cl2O3
Molecular Weight349.21 g/mol
Exact Mass348.03
IUPAC Name2-(6,7-dichloro-2-methyl-1-oxo-2-phenyl-3H-inden-5-yl)acetic acid
SMILESCC1(c2ccccc2)Cc2cc(CC(=O)O)c(Cl)c(Cl)c2C1=O
InChIInChI=1S/C18H14Cl2O3/c1-18(12-5-3-2-4-6-12)9-11-7-10(8-13(21)22)15(19)16(20)14(11)17(18)23/h2-7H,8-9H2,1H3,(H,21,22)
InChIKeyBNCNKCGGYHLMHT-UHFFFAOYSA-N
XLogP4.32
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.21
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3,4-Dichlorophenyl)-3,3-dimethylindan-1-one
CID 45483819
2-[(2E)-2-[(4-chlorophenyl)methylidene]-3-oxo-1H-inden-5-yl]acetic acid
CID 6509978
5-Indanacetic acid, 2-(p-chlorobenzylidene)-3-oxo-
CID 6447117
2-[(2E)-2-[(4-chlorophenyl)methylidene]-3-oxo-1H-inden-5-yl]propanoic acid
CID 12565699
2-[4-(3,4-Dichlorophenyl)-3-methylphenyl]propanoic acid
CID 172441718
4-(2-butyl-6,7-dichloro-2-cyclopentyl-1-oxo-3H-inden-5-yl)-4-oxobutanoic acid
CID 90862362
4-(2-Butyl-6,7-dichloro-2-cyclopentyl-indan-1-on-5-yl) oxobutyric acid
CID 129653400
8-Chloro-2,3-dimethyl-9-oxo-9H-fluorene-4-carboxylic acid
CID 362324
2-[6,7-dichloro-2-(4-fluorophenyl)-2-methyl-1-oxo-3H-inden-5-yl]acetic acid
CID 20294067
7,8-Dichloro-9-fluoro-6-phenyltricyclo[3.3.1.02,4]nona-1(9),5,7-triene-2-carboxylic acid
CID 141309952
6,7-dichloro-2-[4-(1,1-difluoroethyl)phenyl]-2,5-dimethyl-3H-inden-1-one
CID 177969881
6,7-dichloro-2-(4-fluorophenyl)-2,5-dimethyl-3H-inden-1-one
CID 177969891

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dichloro-2-methyl-1-oxo-2-phenyl-3H-inden-5-yl)acetic acid?
The IUPAC name of 2-(6,7-dichloro-2-methyl-1-oxo-2-phenyl-3H-inden-5-yl)acetic acid (CID 12540266) is 2-(6,7-dichloro-2-methyl-1-oxo-2-phenyl-3H-inden-5-yl)acetic acid.
What is the SMILES notation for 2-(6,7-dichloro-2-methyl-1-oxo-2-phenyl-3H-inden-5-yl)acetic acid?
The canonical SMILES for 2-(6,7-dichloro-2-methyl-1-oxo-2-phenyl-3H-inden-5-yl)acetic acid is CC1(c2ccccc2)Cc2cc(CC(=O)O)c(Cl)c(Cl)c2C1=O.
What is the InChIKey of 2-(6,7-dichloro-2-methyl-1-oxo-2-phenyl-3H-inden-5-yl)acetic acid?
The InChIKey is BNCNKCGGYHLMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2O3/c1-18(12-5-3-2-4-6-12)9-11-7-10(8-13(21)22)15(19)16(20)14(11)17(18)23/h2-7H,8-9H2,1H3,(H,21,22).
What are the key properties of 2-(6,7-dichloro-2-methyl-1-oxo-2-phenyl-3H-inden-5-yl)acetic acid?
2-(6,7-dichloro-2-methyl-1-oxo-2-phenyl-3H-inden-5-yl)acetic acid has a molecular weight of 349.21 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dichloro-2-methyl-1-oxo-2-phenyl-3H-inden-5-yl)acetic acid is sourced from PubChem (CID 12540266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).