3-phenyl-1H-indene-2-carboxylate

C16H11O2- — CID 23222406

IUPAC3-phenyl-1H-indene-2-carboxylate
SMILESO=C([O-])C1=C(c2ccccc2)c2ccccc2C1
InChIInChI=1S/C16H12O2/c17-16(18)14-10-12-8-4-5-9-13(12)15(14)11-6-2-1-3-7-11/h1-9H,10H2,(H,17,18)/p-1
InChIKeyDLNCQKZILLZRBH-UHFFFAOYSA-M
MW235.26 g/mol
LogP1.79
Rot. Bonds2

About 3-phenyl-1H-indene-2-carboxylate

3-phenyl-1H-indene-2-carboxylate (PubChem CID 23222406) has the molecular formula C16H11O2- and a molecular weight of 235.26 g/mol. Its IUPAC name is 3-phenyl-1H-indene-2-carboxylate.

Molecular Properties

Compound Name3-phenyl-1H-indene-2-carboxylate
PubChem CID23222406
Molecular FormulaC16H11O2-
Molecular Weight235.26 g/mol
Exact Mass235.08
IUPAC Name3-phenyl-1H-indene-2-carboxylate
SMILESO=C([O-])C1=C(c2ccccc2)c2ccccc2C1
InChIInChI=1S/C16H12O2/c17-16(18)14-10-12-8-4-5-9-13(12)15(14)11-6-2-1-3-7-11/h1-9H,10H2,(H,17,18)/p-1
InChIKeyDLNCQKZILLZRBH-UHFFFAOYSA-M
XLogP1.79
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-phenyl-1H-isothiochromene-3-carboxylic acid
CID 19090525
4-phenyl-1,2-dihydronaphthalene-2-carboxylic acid
CID 24972595
2-cyclopropyl-3-phenyl-1H-indene
CID 134995236
dilithium;3-phenylphthalate
CID 130387255
2-methylsulfanyl-3-phenyl-1H-indene
CID 5133022
barium(2+);3-phenylphthalate
CID 141391844
2-(1-phenyl-3,4-dihydronaphthalen-2-yl)acetic acid
CID 59227588
acetic acid;azane;9H-fluorene
CID 174966259
phenyl-(3-phenyl-1H-inden-2-yl)iodanium
CID 102073091
bis(1,1'-biphenyl);carbonate
CID 23514328
1,1'-biphenyl;9H-fluorene;hydrazine
CID 157286275
chloro-dimethyl-(3-phenyl-1H-inden-2-yl)silane
CID 142448788

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1H-indene-2-carboxylate?
The IUPAC name of 3-phenyl-1H-indene-2-carboxylate (CID 23222406) is 3-phenyl-1H-indene-2-carboxylate.
What is the SMILES notation for 3-phenyl-1H-indene-2-carboxylate?
The canonical SMILES for 3-phenyl-1H-indene-2-carboxylate is O=C([O-])C1=C(c2ccccc2)c2ccccc2C1.
What is the InChIKey of 3-phenyl-1H-indene-2-carboxylate?
The InChIKey is DLNCQKZILLZRBH-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H12O2/c17-16(18)14-10-12-8-4-5-9-13(12)15(14)11-6-2-1-3-7-11/h1-9H,10H2,(H,17,18)/p-1.
What are the key properties of 3-phenyl-1H-indene-2-carboxylate?
3-phenyl-1H-indene-2-carboxylate has a molecular weight of 235.26 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1H-indene-2-carboxylate is sourced from PubChem (CID 23222406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).