2-(3-phenyl-2,3-dihydro-1H-inden-1-yl)acetic acid

C17H16O2 — CID 3054945

IUPAC2-(3-phenyl-2,3-dihydro-1H-inden-1-yl)acetic acid
SMILESO=C(O)CC1CC(c2ccccc2)c2ccccc21
InChIInChI=1S/C17H16O2/c18-17(19)11-13-10-16(12-6-2-1-3-7-12)15-9-5-4-8-14(13)15/h1-9,13,16H,10-11H2,(H,18,19)
InChIKeySPMZTVMUKNTXEW-UHFFFAOYSA-N
MW252.31 g/mol
LogP3.78
Rot. Bonds3

About 2-(3-phenyl-2,3-dihydro-1H-inden-1-yl)acetic acid

2-(3-phenyl-2,3-dihydro-1H-inden-1-yl)acetic acid (PubChem CID 3054945) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-(3-phenyl-2,3-dihydro-1H-inden-1-yl)acetic acid.

Molecular Properties

Compound Name2-(3-phenyl-2,3-dihydro-1H-inden-1-yl)acetic acid
PubChem CID3054945
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Name2-(3-phenyl-2,3-dihydro-1H-inden-1-yl)acetic acid
SMILESO=C(O)CC1CC(c2ccccc2)c2ccccc21
InChIInChI=1S/C17H16O2/c18-17(19)11-13-10-16(12-6-2-1-3-7-12)15-9-5-4-8-14(13)15/h1-9,13,16H,10-11H2,(H,18,19)
InChIKeySPMZTVMUKNTXEW-UHFFFAOYSA-N
XLogP3.78
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-phenyl-2,3-dihydro-1H-inden-1-yl)acetic acid?
The IUPAC name of 2-(3-phenyl-2,3-dihydro-1H-inden-1-yl)acetic acid (CID 3054945) is 2-(3-phenyl-2,3-dihydro-1H-inden-1-yl)acetic acid.
What is the SMILES notation for 2-(3-phenyl-2,3-dihydro-1H-inden-1-yl)acetic acid?
The canonical SMILES for 2-(3-phenyl-2,3-dihydro-1H-inden-1-yl)acetic acid is O=C(O)CC1CC(c2ccccc2)c2ccccc21.
What is the InChIKey of 2-(3-phenyl-2,3-dihydro-1H-inden-1-yl)acetic acid?
The InChIKey is SPMZTVMUKNTXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O2/c18-17(19)11-13-10-16(12-6-2-1-3-7-12)15-9-5-4-8-14(13)15/h1-9,13,16H,10-11H2,(H,18,19).
What are the key properties of 2-(3-phenyl-2,3-dihydro-1H-inden-1-yl)acetic acid?
2-(3-phenyl-2,3-dihydro-1H-inden-1-yl)acetic acid has a molecular weight of 252.31 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenyl-2,3-dihydro-1H-inden-1-yl)acetic acid is sourced from PubChem (CID 3054945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).