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

C16H22O5 — CID 114621017

IUPAC5-methoxy-2-(2,2,5,5-tetramethyloxolan-3-yl)oxybenzoic acid
SMILESCOc1ccc(OC2CC(C)(C)OC2(C)C)c(C(=O)O)c1
InChIInChI=1S/C16H22O5/c1-15(2)9-13(16(3,4)21-15)20-12-7-6-10(19-5)8-11(12)14(17)18/h6-8,13H,9H2,1-5H3,(H,17,18)
InChIKeyWDRQFNKETBLRKP-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.12
Rot. Bonds4

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

5-methoxy-2-(2,2,5,5-tetramethyloxolan-3-yl)oxybenzoic acid (PubChem CID 114621017) has the molecular formula C16H22O5 and a molecular weight of 294.35 g/mol. Its IUPAC name is 5-methoxy-2-(2,2,5,5-tetramethyloxolan-3-yl)oxybenzoic acid.

Molecular Properties

Compound Name5-methoxy-2-(2,2,5,5-tetramethyloxolan-3-yl)oxybenzoic acid
PubChem CID114621017
Molecular FormulaC16H22O5
Molecular Weight294.35 g/mol
Exact Mass294.15
IUPAC Name5-methoxy-2-(2,2,5,5-tetramethyloxolan-3-yl)oxybenzoic acid
SMILESCOc1ccc(OC2CC(C)(C)OC2(C)C)c(C(=O)O)c1
InChIInChI=1S/C16H22O5/c1-15(2)9-13(16(3,4)21-15)20-12-7-6-10(19-5)8-11(12)14(17)18/h6-8,13H,9H2,1-5H3,(H,17,18)
InChIKeyWDRQFNKETBLRKP-UHFFFAOYSA-N
XLogP3.12
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-(2,2,5,5-tetramethyloxolan-3-yl)oxybenzoic acid
CID 107671055
(2,4-dimethoxyphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone
CID 115814029
2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-methoxybenzoic acid
CID 116520659
2-amino-5-methoxybenzoic acid;hydrochloride
CID 15618229
1-[4-methoxy-3-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]-N-methylmethanamine
CID 114621100
1-[3-methoxy-4-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]-N-methylmethanamine
CID 114621099
2,4-dimethoxybenzoic acid
CID 7052
2,4-dimethoxybenzoic acid
CID 67450326
2-amino-5-(2-bromo-4-methoxyphenoxy)benzoic acid
CID 104708170
5-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)oxybenzenesulfonamide
CID 114621747
(1R)-1-[5-fluoro-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanol
CID 104940321
2-(1-acetylpiperidin-4-yl)oxy-N-[(4S)-2,2-dimethyloxan-4-yl]-5-methoxybenzamide
CID 42241187

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(2,2,5,5-tetramethyloxolan-3-yl)oxybenzoic acid?
The IUPAC name of 5-methoxy-2-(2,2,5,5-tetramethyloxolan-3-yl)oxybenzoic acid (CID 114621017) is 5-methoxy-2-(2,2,5,5-tetramethyloxolan-3-yl)oxybenzoic acid.
What is the SMILES notation for 5-methoxy-2-(2,2,5,5-tetramethyloxolan-3-yl)oxybenzoic acid?
The canonical SMILES for 5-methoxy-2-(2,2,5,5-tetramethyloxolan-3-yl)oxybenzoic acid is COc1ccc(OC2CC(C)(C)OC2(C)C)c(C(=O)O)c1.
What is the InChIKey of 5-methoxy-2-(2,2,5,5-tetramethyloxolan-3-yl)oxybenzoic acid?
The InChIKey is WDRQFNKETBLRKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O5/c1-15(2)9-13(16(3,4)21-15)20-12-7-6-10(19-5)8-11(12)14(17)18/h6-8,13H,9H2,1-5H3,(H,17,18).
What are the key properties of 5-methoxy-2-(2,2,5,5-tetramethyloxolan-3-yl)oxybenzoic acid?
5-methoxy-2-(2,2,5,5-tetramethyloxolan-3-yl)oxybenzoic acid has a molecular weight of 294.35 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(2,2,5,5-tetramethyloxolan-3-yl)oxybenzoic acid is sourced from PubChem (CID 114621017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).