3-(2,3-dihydro-1H-inden-5-yl)-3-phenylpropanoic acid

C18H18O2 — CID 82049898

IUPAC3-(2,3-dihydro-1H-inden-5-yl)-3-phenylpropanoic acid
SMILESO=C(O)CC(c1ccccc1)c1ccc2c(c1)CCC2
InChIInChI=1S/C18H18O2/c19-18(20)12-17(14-5-2-1-3-6-14)16-10-9-13-7-4-8-15(13)11-16/h1-3,5-6,9-11,17H,4,7-8,12H2,(H,19,20)
InChIKeyBTWNYYDQLJTTLP-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.78
Rot. Bonds4

About 3-(2,3-dihydro-1H-inden-5-yl)-3-phenylpropanoic acid

3-(2,3-dihydro-1H-inden-5-yl)-3-phenylpropanoic acid (PubChem CID 82049898) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-5-yl)-3-phenylpropanoic acid.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-inden-5-yl)-3-phenylpropanoic acid
PubChem CID82049898
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name3-(2,3-dihydro-1H-inden-5-yl)-3-phenylpropanoic acid
SMILESO=C(O)CC(c1ccccc1)c1ccc2c(c1)CCC2
InChIInChI=1S/C18H18O2/c19-18(20)12-17(14-5-2-1-3-6-14)16-10-9-13-7-4-8-15(13)11-16/h1-3,5-6,9-11,17H,4,7-8,12H2,(H,19,20)
InChIKeyBTWNYYDQLJTTLP-UHFFFAOYSA-N
XLogP3.78
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 ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-hydroxy-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid
CID 82366719
3-(2,3-dihydro-1H-indol-5-yl)-3-phenylpropanoic acid
CID 23003978
3-(2,3-dihydro-1H-inden-5-yl)hexanoic acid
CID 82045624
3-(3,4-dimethylphenyl)-3-phenylpropanoic acid
CID 166063960
3-(3,4-dichlorophenyl)-3-phenylpropanoic acid
CID 3018921
3-(cyclopropylamino)-4-(2,3-dihydro-1H-inden-5-yl)-4-hydroxybutanoic acid
CID 82348854
(2S)-2-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]-2-phenylacetic acid
CID 119372755
4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]-4-phenylbutanoic acid
CID 119201393
3-(2,3-dihydro-1H-inden-5-yl)butanamide
CID 82076746
3-amino-4-(2,3-dihydro-1H-inden-5-yl)butanoic acid
CID 82350821
1-(2,3-dihydro-1H-inden-5-yl)-1-hydroxy-3-methylbutan-2-one
CID 116835964
3-amino-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoic acid
CID 82348857

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-5-yl)-3-phenylpropanoic acid?
The IUPAC name of 3-(2,3-dihydro-1H-inden-5-yl)-3-phenylpropanoic acid (CID 82049898) is 3-(2,3-dihydro-1H-inden-5-yl)-3-phenylpropanoic acid.
What is the SMILES notation for 3-(2,3-dihydro-1H-inden-5-yl)-3-phenylpropanoic acid?
The canonical SMILES for 3-(2,3-dihydro-1H-inden-5-yl)-3-phenylpropanoic acid is O=C(O)CC(c1ccccc1)c1ccc2c(c1)CCC2.
What is the InChIKey of 3-(2,3-dihydro-1H-inden-5-yl)-3-phenylpropanoic acid?
The InChIKey is BTWNYYDQLJTTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c19-18(20)12-17(14-5-2-1-3-6-14)16-10-9-13-7-4-8-15(13)11-16/h1-3,5-6,9-11,17H,4,7-8,12H2,(H,19,20).
What are the key properties of 3-(2,3-dihydro-1H-inden-5-yl)-3-phenylpropanoic acid?
3-(2,3-dihydro-1H-inden-5-yl)-3-phenylpropanoic acid has a molecular weight of 266.34 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-inden-5-yl)-3-phenylpropanoic acid is sourced from PubChem (CID 82049898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).