2-[(1S)-1-cyclohexyl-2,3-dihydro-1H-inden-5-yl]acetic acid

C17H22O2 — CID 129362111

IUPAC2-[(1S)-1-cyclohexyl-2,3-dihydro-1H-inden-5-yl]acetic acid
SMILESO=C(O)Cc1ccc2c(c1)CC[C@H]2C1CCCCC1
InChIInChI=1S/C17H22O2/c18-17(19)11-12-6-8-16-14(10-12)7-9-15(16)13-4-2-1-3-5-13/h6,8,10,13,15H,1-5,7,9,11H2,(H,18,19)/t15-/m0/s1
InChIKeyXTBLPGDLWKPXCN-HNNXBMFYSA-N
MW258.36 g/mol
LogP3.92
Rot. Bonds3

About 2-[(1S)-1-cyclohexyl-2,3-dihydro-1H-inden-5-yl]acetic acid

2-[(1S)-1-cyclohexyl-2,3-dihydro-1H-inden-5-yl]acetic acid (PubChem CID 129362111) has the molecular formula C17H22O2 and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-[(1S)-1-cyclohexyl-2,3-dihydro-1H-inden-5-yl]acetic acid.

Molecular Properties

Compound Name2-[(1S)-1-cyclohexyl-2,3-dihydro-1H-inden-5-yl]acetic acid
PubChem CID129362111
Molecular FormulaC17H22O2
Molecular Weight258.36 g/mol
Exact Mass258.16
IUPAC Name2-[(1S)-1-cyclohexyl-2,3-dihydro-1H-inden-5-yl]acetic acid
SMILESO=C(O)Cc1ccc2c(c1)CC[C@H]2C1CCCCC1
InChIInChI=1S/C17H22O2/c18-17(19)11-12-6-8-16-14(10-12)7-9-15(16)13-4-2-1-3-5-13/h6,8,10,13,15H,1-5,7,9,11H2,(H,18,19)/t15-/m0/s1
InChIKeyXTBLPGDLWKPXCN-HNNXBMFYSA-N
XLogP3.92
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-cyclohexyl-2,3-dihydro-1H-inden-5-yl]acetic acid?
The IUPAC name of 2-[(1S)-1-cyclohexyl-2,3-dihydro-1H-inden-5-yl]acetic acid (CID 129362111) is 2-[(1S)-1-cyclohexyl-2,3-dihydro-1H-inden-5-yl]acetic acid.
What is the SMILES notation for 2-[(1S)-1-cyclohexyl-2,3-dihydro-1H-inden-5-yl]acetic acid?
The canonical SMILES for 2-[(1S)-1-cyclohexyl-2,3-dihydro-1H-inden-5-yl]acetic acid is O=C(O)Cc1ccc2c(c1)CC[C@H]2C1CCCCC1.
What is the InChIKey of 2-[(1S)-1-cyclohexyl-2,3-dihydro-1H-inden-5-yl]acetic acid?
The InChIKey is XTBLPGDLWKPXCN-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H22O2/c18-17(19)11-12-6-8-16-14(10-12)7-9-15(16)13-4-2-1-3-5-13/h6,8,10,13,15H,1-5,7,9,11H2,(H,18,19)/t15-/m0/s1.
What are the key properties of 2-[(1S)-1-cyclohexyl-2,3-dihydro-1H-inden-5-yl]acetic acid?
2-[(1S)-1-cyclohexyl-2,3-dihydro-1H-inden-5-yl]acetic acid has a molecular weight of 258.36 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-cyclohexyl-2,3-dihydro-1H-inden-5-yl]acetic acid is sourced from PubChem (CID 129362111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).