2-[(5-hydroxy-6-propan-2-yl-1H-inden-2-yl)oxy]acetic acid

C14H16O4 — CID 118963267

IUPAC2-[(5-hydroxy-6-propan-2-yl-1H-inden-2-yl)oxy]acetic acid
SMILESCC(C)c1cc2c(cc1O)C=C(OCC(=O)O)C2
InChIInChI=1S/C14H16O4/c1-8(2)12-5-9-3-11(18-7-14(16)17)4-10(9)6-13(12)15/h4-6,8,15H,3,7H2,1-2H3,(H,16,17)
InChIKeyHRFBXCFMYOXYRG-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.51
Rot. Bonds4

About 2-[(5-hydroxy-6-propan-2-yl-1H-inden-2-yl)oxy]acetic acid

2-[(5-hydroxy-6-propan-2-yl-1H-inden-2-yl)oxy]acetic acid (PubChem CID 118963267) has the molecular formula C14H16O4 and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-[(5-hydroxy-6-propan-2-yl-1H-inden-2-yl)oxy]acetic acid.

Molecular Properties

Compound Name2-[(5-hydroxy-6-propan-2-yl-1H-inden-2-yl)oxy]acetic acid
PubChem CID118963267
Molecular FormulaC14H16O4
Molecular Weight248.28 g/mol
Exact Mass248.10
IUPAC Name2-[(5-hydroxy-6-propan-2-yl-1H-inden-2-yl)oxy]acetic acid
SMILESCC(C)c1cc2c(cc1O)C=C(OCC(=O)O)C2
InChIInChI=1S/C14H16O4/c1-8(2)12-5-9-3-11(18-7-14(16)17)4-10(9)6-13(12)15/h4-6,8,15H,3,7H2,1-2H3,(H,16,17)
InChIKeyHRFBXCFMYOXYRG-UHFFFAOYSA-N
XLogP2.51
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-hydroxy-6-propan-2-yl-1H-inden-2-yl)oxy]acetic acid?
The IUPAC name of 2-[(5-hydroxy-6-propan-2-yl-1H-inden-2-yl)oxy]acetic acid (CID 118963267) is 2-[(5-hydroxy-6-propan-2-yl-1H-inden-2-yl)oxy]acetic acid.
What is the SMILES notation for 2-[(5-hydroxy-6-propan-2-yl-1H-inden-2-yl)oxy]acetic acid?
The canonical SMILES for 2-[(5-hydroxy-6-propan-2-yl-1H-inden-2-yl)oxy]acetic acid is CC(C)c1cc2c(cc1O)C=C(OCC(=O)O)C2.
What is the InChIKey of 2-[(5-hydroxy-6-propan-2-yl-1H-inden-2-yl)oxy]acetic acid?
The InChIKey is HRFBXCFMYOXYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O4/c1-8(2)12-5-9-3-11(18-7-14(16)17)4-10(9)6-13(12)15/h4-6,8,15H,3,7H2,1-2H3,(H,16,17).
What are the key properties of 2-[(5-hydroxy-6-propan-2-yl-1H-inden-2-yl)oxy]acetic acid?
2-[(5-hydroxy-6-propan-2-yl-1H-inden-2-yl)oxy]acetic acid has a molecular weight of 248.28 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-hydroxy-6-propan-2-yl-1H-inden-2-yl)oxy]acetic acid is sourced from PubChem (CID 118963267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).