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

C18H18O2 — CID 3055290

IUPAC3-(3-phenyl-2,3-dihydro-1H-inden-1-yl)propanoic acid
SMILESO=C(O)CCC1CC(c2ccccc2)c2ccccc21
InChIInChI=1S/C18H18O2/c19-18(20)11-10-14-12-17(13-6-2-1-3-7-13)16-9-5-4-8-15(14)16/h1-9,14,17H,10-12H2,(H,19,20)
InChIKeyXTLDALXUGWJVGF-UHFFFAOYSA-N
MW266.34 g/mol
LogP4.17
Rot. Bonds4

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

3-(3-phenyl-2,3-dihydro-1H-inden-1-yl)propanoic acid (PubChem CID 3055290) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-(3-phenyl-2,3-dihydro-1H-inden-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(3-phenyl-2,3-dihydro-1H-inden-1-yl)propanoic acid
PubChem CID3055290
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name3-(3-phenyl-2,3-dihydro-1H-inden-1-yl)propanoic acid
SMILESO=C(O)CCC1CC(c2ccccc2)c2ccccc21
InChIInChI=1S/C18H18O2/c19-18(20)11-10-14-12-17(13-6-2-1-3-7-13)16-9-5-4-8-15(14)16/h1-9,14,17H,10-12H2,(H,19,20)
InChIKeyXTLDALXUGWJVGF-UHFFFAOYSA-N
XLogP4.17
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 124603501
3-(2-phenyl-2,3-dihydro-1H-indol-3-yl)propanoic acid
CID 19348216
3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)propanoic acid
CID 83985074
(1R)-1-methyl-3-phenyl-2,3-dihydro-1H-indene
CID 163676750
3-(3-phenyl-2-bicyclo[2.2.1]hept-5-enyl)propanoic acid
CID 91467684
3-(4-phenyl-1,3-dioxetan-2-yl)propanoic acid
CID 70327887
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CID 129409736
2-acetyl-4-phenyl-3,4-dihydro-2H-naphthalen-1-one
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N,N-dimethyl-3-phenyl-2,3-dihydro-1H-inden-1-amine
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butanedioic acid;(1S,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 25000188
2-(3-amino-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide
CID 57036053
3-(3,4-dihydro-1H-isochromen-1-yl)propanoic acid
CID 23288809

Frequently Asked Questions

What is the IUPAC name of 3-(3-phenyl-2,3-dihydro-1H-inden-1-yl)propanoic acid?
The IUPAC name of 3-(3-phenyl-2,3-dihydro-1H-inden-1-yl)propanoic acid (CID 3055290) is 3-(3-phenyl-2,3-dihydro-1H-inden-1-yl)propanoic acid.
What is the SMILES notation for 3-(3-phenyl-2,3-dihydro-1H-inden-1-yl)propanoic acid?
The canonical SMILES for 3-(3-phenyl-2,3-dihydro-1H-inden-1-yl)propanoic acid is O=C(O)CCC1CC(c2ccccc2)c2ccccc21.
What is the InChIKey of 3-(3-phenyl-2,3-dihydro-1H-inden-1-yl)propanoic acid?
The InChIKey is XTLDALXUGWJVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c19-18(20)11-10-14-12-17(13-6-2-1-3-7-13)16-9-5-4-8-15(14)16/h1-9,14,17H,10-12H2,(H,19,20).
What are the key properties of 3-(3-phenyl-2,3-dihydro-1H-inden-1-yl)propanoic acid?
3-(3-phenyl-2,3-dihydro-1H-inden-1-yl)propanoic acid has a molecular weight of 266.34 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-phenyl-2,3-dihydro-1H-inden-1-yl)propanoic acid is sourced from PubChem (CID 3055290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).