2-methyl-4-(2,2,5,5-tetramethyloxolan-3-yl)oxybenzoic acid

C16H22O4 — CID 107671055

IUPAC2-methyl-4-(2,2,5,5-tetramethyloxolan-3-yl)oxybenzoic acid
SMILESCc1cc(OC2CC(C)(C)OC2(C)C)ccc1C(=O)O
InChIInChI=1S/C16H22O4/c1-10-8-11(6-7-12(10)14(17)18)19-13-9-15(2,3)20-16(13,4)5/h6-8,13H,9H2,1-5H3,(H,17,18)
InChIKeyVPOJCZPGFYZSJF-UHFFFAOYSA-N
MW278.35 g/mol
LogP3.42
Rot. Bonds3

About 2-methyl-4-(2,2,5,5-tetramethyloxolan-3-yl)oxybenzoic acid

2-methyl-4-(2,2,5,5-tetramethyloxolan-3-yl)oxybenzoic acid (PubChem CID 107671055) has the molecular formula C16H22O4 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-methyl-4-(2,2,5,5-tetramethyloxolan-3-yl)oxybenzoic acid.

Molecular Properties

Compound Name2-methyl-4-(2,2,5,5-tetramethyloxolan-3-yl)oxybenzoic acid
PubChem CID107671055
Molecular FormulaC16H22O4
Molecular Weight278.35 g/mol
Exact Mass278.15
IUPAC Name2-methyl-4-(2,2,5,5-tetramethyloxolan-3-yl)oxybenzoic acid
SMILESCc1cc(OC2CC(C)(C)OC2(C)C)ccc1C(=O)O
InChIInChI=1S/C16H22O4/c1-10-8-11(6-7-12(10)14(17)18)19-13-9-15(2,3)20-16(13,4)5/h6-8,13H,9H2,1-5H3,(H,17,18)
InChIKeyVPOJCZPGFYZSJF-UHFFFAOYSA-N
XLogP3.42
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methoxy-2-(2,2,5,5-tetramethyloxolan-3-yl)oxybenzoic acid
CID 114621017
3-amino-2-(2,2,5,5-tetramethyloxolan-3-yl)oxybenzoic acid
CID 107077281
2-chloro-4-(2,2,5,5-tetramethyloxolan-3-yl)oxybenzenecarboximidamide
CID 102724526
1-[5-amino-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanone
CID 114620999
(1S)-1-[4-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]propan-1-ol
CID 104940314
3-[2-fluoro-4-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]prop-2-yn-1-amine
CID 114623621
2-methyl-4-(3-methylcyclohexyl)oxybenzoic acid
CID 81281730
(2,4-dimethoxyphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone
CID 115814029
3-[4-(4-chlorobut-1-ynyl)phenoxy]-2,2,5,5-tetramethyloxolane
CID 114623605
4-(3-ethylcyclohexyl)oxy-2-methylbenzoic acid
CID 81294246
4-(4-methoxyphenoxy)-2-methylbenzoic acid
CID 22349454
4-(3-hydroxybutan-2-yloxy)-2-methylbenzoic acid
CID 107671156

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2,2,5,5-tetramethyloxolan-3-yl)oxybenzoic acid?
The IUPAC name of 2-methyl-4-(2,2,5,5-tetramethyloxolan-3-yl)oxybenzoic acid (CID 107671055) is 2-methyl-4-(2,2,5,5-tetramethyloxolan-3-yl)oxybenzoic acid.
What is the SMILES notation for 2-methyl-4-(2,2,5,5-tetramethyloxolan-3-yl)oxybenzoic acid?
The canonical SMILES for 2-methyl-4-(2,2,5,5-tetramethyloxolan-3-yl)oxybenzoic acid is Cc1cc(OC2CC(C)(C)OC2(C)C)ccc1C(=O)O.
What is the InChIKey of 2-methyl-4-(2,2,5,5-tetramethyloxolan-3-yl)oxybenzoic acid?
The InChIKey is VPOJCZPGFYZSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O4/c1-10-8-11(6-7-12(10)14(17)18)19-13-9-15(2,3)20-16(13,4)5/h6-8,13H,9H2,1-5H3,(H,17,18).
What are the key properties of 2-methyl-4-(2,2,5,5-tetramethyloxolan-3-yl)oxybenzoic acid?
2-methyl-4-(2,2,5,5-tetramethyloxolan-3-yl)oxybenzoic acid has a molecular weight of 278.35 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2,2,5,5-tetramethyloxolan-3-yl)oxybenzoic acid is sourced from PubChem (CID 107671055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).