4-(2-methoxyphenyl)oxolane-2-carboxylic acid

C12H14O4 — CID 175762342

IUPAC4-(2-methoxyphenyl)oxolane-2-carboxylic acid
SMILESCOc1ccccc1C1COC(C(=O)O)C1
InChIInChI=1S/C12H14O4/c1-15-10-5-3-2-4-9(10)8-6-11(12(13)14)16-7-8/h2-5,8,11H,6-7H2,1H3,(H,13,14)
InChIKeyWNDGOLAZVPGYRP-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.65
Rot. Bonds3

About 4-(2-methoxyphenyl)oxolane-2-carboxylic acid

4-(2-methoxyphenyl)oxolane-2-carboxylic acid (PubChem CID 175762342) has the molecular formula C12H14O4 and a molecular weight of 222.24 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)oxolane-2-carboxylic acid.

Molecular Properties

Compound Name4-(2-methoxyphenyl)oxolane-2-carboxylic acid
PubChem CID175762342
Molecular FormulaC12H14O4
Molecular Weight222.24 g/mol
Exact Mass222.09
IUPAC Name4-(2-methoxyphenyl)oxolane-2-carboxylic acid
SMILESCOc1ccccc1C1COC(C(=O)O)C1
InChIInChI=1S/C12H14O4/c1-15-10-5-3-2-4-9(10)8-6-11(12(13)14)16-7-8/h2-5,8,11H,6-7H2,1H3,(H,13,14)
InChIKeyWNDGOLAZVPGYRP-UHFFFAOYSA-N
XLogP1.65
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methoxyphenyl)cyclopentan-1-ol
CID 64516267
1-hydroxy-4-(2-methoxyphenyl)piperidine
CID 154170969
(2R)-2-(2-methoxyphenyl)oxirane
CID 27776035
(2S,4R)-2-(azidomethyl)-4-(2-methoxyphenyl)oxolane
CID 125456577
1-cyclopropyl-2-methoxybenzene;ethane
CID 144769798
(4R)-4-(2-methoxyphenyl)oxolan-2-one
CID 125041277
methyl (2S,4R)-4-(2-methoxyphenyl)piperidine-2-carboxylate
CID 96530315
(2S,3S)-2-(2-methoxyphenyl)-5-oxooxolane-3-carboxylic acid
CID 725397
4-(2-methoxyphenyl)oxane
CID 121009799
4-(2-methoxyphenyl)piperidine
CID 544738
2-[4-(2-methoxyphenyl)cyclohexen-1-yl]acetic acid
CID 175497484
1-[4-(2-methoxyphenyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 110479648

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)oxolane-2-carboxylic acid?
The IUPAC name of 4-(2-methoxyphenyl)oxolane-2-carboxylic acid (CID 175762342) is 4-(2-methoxyphenyl)oxolane-2-carboxylic acid.
What is the SMILES notation for 4-(2-methoxyphenyl)oxolane-2-carboxylic acid?
The canonical SMILES for 4-(2-methoxyphenyl)oxolane-2-carboxylic acid is COc1ccccc1C1COC(C(=O)O)C1.
What is the InChIKey of 4-(2-methoxyphenyl)oxolane-2-carboxylic acid?
The InChIKey is WNDGOLAZVPGYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O4/c1-15-10-5-3-2-4-9(10)8-6-11(12(13)14)16-7-8/h2-5,8,11H,6-7H2,1H3,(H,13,14).
What are the key properties of 4-(2-methoxyphenyl)oxolane-2-carboxylic acid?
4-(2-methoxyphenyl)oxolane-2-carboxylic acid has a molecular weight of 222.24 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)oxolane-2-carboxylic acid is sourced from PubChem (CID 175762342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).