3-chloro-2-(2,2,5,5-tetramethyloxolan-3-yl)oxybenzoic acid

C15H19ClO4 — CID 114621446

IUPAC3-chloro-2-(2,2,5,5-tetramethyloxolan-3-yl)oxybenzoic acid
SMILESCC1(C)CC(Oc2c(Cl)cccc2C(=O)O)C(C)(C)O1
InChIInChI=1S/C15H19ClO4/c1-14(2)8-11(15(3,4)20-14)19-12-9(13(17)18)6-5-7-10(12)16/h5-7,11H,8H2,1-4H3,(H,17,18)
InChIKeyGCQDHGLVBYTHPX-UHFFFAOYSA-N
MW298.77 g/mol
LogP3.76
Rot. Bonds3

About 3-chloro-2-(2,2,5,5-tetramethyloxolan-3-yl)oxybenzoic acid

3-chloro-2-(2,2,5,5-tetramethyloxolan-3-yl)oxybenzoic acid (PubChem CID 114621446) has the molecular formula C15H19ClO4 and a molecular weight of 298.77 g/mol. Its IUPAC name is 3-chloro-2-(2,2,5,5-tetramethyloxolan-3-yl)oxybenzoic acid.

Molecular Properties

Compound Name3-chloro-2-(2,2,5,5-tetramethyloxolan-3-yl)oxybenzoic acid
PubChem CID114621446
Molecular FormulaC15H19ClO4
Molecular Weight298.77 g/mol
Exact Mass298.10
IUPAC Name3-chloro-2-(2,2,5,5-tetramethyloxolan-3-yl)oxybenzoic acid
SMILESCC1(C)CC(Oc2c(Cl)cccc2C(=O)O)C(C)(C)O1
InChIInChI=1S/C15H19ClO4/c1-14(2)8-11(15(3,4)20-14)19-12-9(13(17)18)6-5-7-10(12)16/h5-7,11H,8H2,1-4H3,(H,17,18)
InChIKeyGCQDHGLVBYTHPX-UHFFFAOYSA-N
XLogP3.76
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(2,2,5,5-tetramethyloxolan-3-yl)oxybenzoic acid?
The IUPAC name of 3-chloro-2-(2,2,5,5-tetramethyloxolan-3-yl)oxybenzoic acid (CID 114621446) is 3-chloro-2-(2,2,5,5-tetramethyloxolan-3-yl)oxybenzoic acid.
What is the SMILES notation for 3-chloro-2-(2,2,5,5-tetramethyloxolan-3-yl)oxybenzoic acid?
The canonical SMILES for 3-chloro-2-(2,2,5,5-tetramethyloxolan-3-yl)oxybenzoic acid is CC1(C)CC(Oc2c(Cl)cccc2C(=O)O)C(C)(C)O1.
What is the InChIKey of 3-chloro-2-(2,2,5,5-tetramethyloxolan-3-yl)oxybenzoic acid?
The InChIKey is GCQDHGLVBYTHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClO4/c1-14(2)8-11(15(3,4)20-14)19-12-9(13(17)18)6-5-7-10(12)16/h5-7,11H,8H2,1-4H3,(H,17,18).
What are the key properties of 3-chloro-2-(2,2,5,5-tetramethyloxolan-3-yl)oxybenzoic acid?
3-chloro-2-(2,2,5,5-tetramethyloxolan-3-yl)oxybenzoic acid has a molecular weight of 298.77 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(2,2,5,5-tetramethyloxolan-3-yl)oxybenzoic acid is sourced from PubChem (CID 114621446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).