1-methyl-3-phenyl-1H-indene-2-carboxylic acid

C17H14O2 — CID 177461610

IUPAC1-methyl-3-phenyl-1H-indene-2-carboxylic acid
SMILESCC1C(C(=O)O)=C(c2ccccc2)c2ccccc21
InChIInChI=1S/C17H14O2/c1-11-13-9-5-6-10-14(13)16(15(11)17(18)19)12-7-3-2-4-8-12/h2-11H,1H3,(H,18,19)
InChIKeyRIACBIPYSVUBMG-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.69
Rot. Bonds2

About 1-methyl-3-phenyl-1H-indene-2-carboxylic acid

1-methyl-3-phenyl-1H-indene-2-carboxylic acid (PubChem CID 177461610) has the molecular formula C17H14O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-methyl-3-phenyl-1H-indene-2-carboxylic acid.

Molecular Properties

Compound Name1-methyl-3-phenyl-1H-indene-2-carboxylic acid
PubChem CID177461610
Molecular FormulaC17H14O2
Molecular Weight250.30 g/mol
Exact Mass250.10
IUPAC Name1-methyl-3-phenyl-1H-indene-2-carboxylic acid
SMILESCC1C(C(=O)O)=C(c2ccccc2)c2ccccc21
InChIInChI=1S/C17H14O2/c1-11-13-9-5-6-10-14(13)16(15(11)17(18)19)12-7-3-2-4-8-12/h2-11H,1H3,(H,18,19)
InChIKeyRIACBIPYSVUBMG-UHFFFAOYSA-N
XLogP3.69
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-1-methyl-3-phenyl-1H-indene
CID 13149961
1,4-diphenyl-3,4-dihydronaphthalene-2-carboxylic acid
CID 102167347
2-(dimethylamino)-3-methyl-3H-indene-1-carboxylic acid
CID 175098994
3-(4-chlorophenyl)-1,2-dimethyl-1H-indene
CID 86117388
3-fluoro-1-methyl-2-phenyl-1H-indene
CID 86003078
methyl 2-(1-methoxy-3-phenyl-1H-inden-2-yl)-3,3-diphenylprop-2-enoate
CID 101078310
(2,3-dimethyl-3H-inden-1-yl)-phenylmethanone
CID 102031725
2-aminoazulene-1-carboxylic acid
CID 139642161
9-(9-methyl-9H-fluoren-2-yl)-10-phenylanthracene
CID 20822440
3-phenylphthalic acid;dihydrobromide
CID 67683459
(9S,18S,27S)-9,18,27-trimethylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
CID 101264087
10,10-dimethyl-8-phenyl-11,15-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-2,4,6,8-tetraen-12-one
CID 175851298

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-phenyl-1H-indene-2-carboxylic acid?
The IUPAC name of 1-methyl-3-phenyl-1H-indene-2-carboxylic acid (CID 177461610) is 1-methyl-3-phenyl-1H-indene-2-carboxylic acid.
What is the SMILES notation for 1-methyl-3-phenyl-1H-indene-2-carboxylic acid?
The canonical SMILES for 1-methyl-3-phenyl-1H-indene-2-carboxylic acid is CC1C(C(=O)O)=C(c2ccccc2)c2ccccc21.
What is the InChIKey of 1-methyl-3-phenyl-1H-indene-2-carboxylic acid?
The InChIKey is RIACBIPYSVUBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O2/c1-11-13-9-5-6-10-14(13)16(15(11)17(18)19)12-7-3-2-4-8-12/h2-11H,1H3,(H,18,19).
What are the key properties of 1-methyl-3-phenyl-1H-indene-2-carboxylic acid?
1-methyl-3-phenyl-1H-indene-2-carboxylic acid has a molecular weight of 250.30 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-phenyl-1H-indene-2-carboxylic acid is sourced from PubChem (CID 177461610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).