2-(1-cyclohexyl-3-oxo-1,2-dihydroinden-5-yl)acetic acid

C17H20O3 — CID 3054954

IUPAC2-(1-cyclohexyl-3-oxo-1,2-dihydroinden-5-yl)acetic acid
SMILESO=C(O)Cc1ccc2c(c1)C(=O)CC2C1CCCCC1
InChIInChI=1S/C17H20O3/c18-16-10-14(12-4-2-1-3-5-12)13-7-6-11(8-15(13)16)9-17(19)20/h6-8,12,14H,1-5,9-10H2,(H,19,20)
InChIKeySTTNMOQYCWNAPU-UHFFFAOYSA-N
MW272.34 g/mol
LogP3.56
Rot. Bonds3

About 2-(1-cyclohexyl-3-oxo-1,2-dihydroinden-5-yl)acetic acid

2-(1-cyclohexyl-3-oxo-1,2-dihydroinden-5-yl)acetic acid (PubChem CID 3054954) has the molecular formula C17H20O3 and a molecular weight of 272.34 g/mol. Its IUPAC name is 2-(1-cyclohexyl-3-oxo-1,2-dihydroinden-5-yl)acetic acid.

Molecular Properties

Compound Name2-(1-cyclohexyl-3-oxo-1,2-dihydroinden-5-yl)acetic acid
PubChem CID3054954
Molecular FormulaC17H20O3
Molecular Weight272.34 g/mol
Exact Mass272.14
IUPAC Name2-(1-cyclohexyl-3-oxo-1,2-dihydroinden-5-yl)acetic acid
SMILESO=C(O)Cc1ccc2c(c1)C(=O)CC2C1CCCCC1
InChIInChI=1S/C17H20O3/c18-16-10-14(12-4-2-1-3-5-12)13-7-6-11(8-15(13)16)9-17(19)20/h6-8,12,14H,1-5,9-10H2,(H,19,20)
InChIKeySTTNMOQYCWNAPU-UHFFFAOYSA-N
XLogP3.56
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexyl-3-oxo-1,2-dihydroinden-5-yl)acetic acid?
The IUPAC name of 2-(1-cyclohexyl-3-oxo-1,2-dihydroinden-5-yl)acetic acid (CID 3054954) is 2-(1-cyclohexyl-3-oxo-1,2-dihydroinden-5-yl)acetic acid.
What is the SMILES notation for 2-(1-cyclohexyl-3-oxo-1,2-dihydroinden-5-yl)acetic acid?
The canonical SMILES for 2-(1-cyclohexyl-3-oxo-1,2-dihydroinden-5-yl)acetic acid is O=C(O)Cc1ccc2c(c1)C(=O)CC2C1CCCCC1.
What is the InChIKey of 2-(1-cyclohexyl-3-oxo-1,2-dihydroinden-5-yl)acetic acid?
The InChIKey is STTNMOQYCWNAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O3/c18-16-10-14(12-4-2-1-3-5-12)13-7-6-11(8-15(13)16)9-17(19)20/h6-8,12,14H,1-5,9-10H2,(H,19,20).
What are the key properties of 2-(1-cyclohexyl-3-oxo-1,2-dihydroinden-5-yl)acetic acid?
2-(1-cyclohexyl-3-oxo-1,2-dihydroinden-5-yl)acetic acid has a molecular weight of 272.34 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexyl-3-oxo-1,2-dihydroinden-5-yl)acetic acid is sourced from PubChem (CID 3054954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).