2-cyclopropyl-3-(phenylmethoxymethyl)oxolane-3-carboxylic acid

C16H20O4 — CID 102940040

IUPAC2-cyclopropyl-3-(phenylmethoxymethyl)oxolane-3-carboxylic acid
SMILESO=C(O)C1(COCc2ccccc2)CCOC1C1CC1
InChIInChI=1S/C16H20O4/c17-15(18)16(8-9-20-14(16)13-6-7-13)11-19-10-12-4-2-1-3-5-12/h1-5,13-14H,6-11H2,(H,17,18)
InChIKeyLIQBIJBWTLSBEE-UHFFFAOYSA-N
MW276.33 g/mol
LogP2.47
Rot. Bonds6

About 2-cyclopropyl-3-(phenylmethoxymethyl)oxolane-3-carboxylic acid

2-cyclopropyl-3-(phenylmethoxymethyl)oxolane-3-carboxylic acid (PubChem CID 102940040) has the molecular formula C16H20O4 and a molecular weight of 276.33 g/mol. Its IUPAC name is 2-cyclopropyl-3-(phenylmethoxymethyl)oxolane-3-carboxylic acid.

Molecular Properties

Compound Name2-cyclopropyl-3-(phenylmethoxymethyl)oxolane-3-carboxylic acid
PubChem CID102940040
Molecular FormulaC16H20O4
Molecular Weight276.33 g/mol
Exact Mass276.14
IUPAC Name2-cyclopropyl-3-(phenylmethoxymethyl)oxolane-3-carboxylic acid
SMILESO=C(O)C1(COCc2ccccc2)CCOC1C1CC1
InChIInChI=1S/C16H20O4/c17-15(18)16(8-9-20-14(16)13-6-7-13)11-19-10-12-4-2-1-3-5-12/h1-5,13-14H,6-11H2,(H,17,18)
InChIKeyLIQBIJBWTLSBEE-UHFFFAOYSA-N
XLogP2.47
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-3-(cyclopropylmethoxymethyl)oxolane-3-carboxylic acid
CID 106930065
3-(chloromethyl)-2-cyclopropyl-3-(phenylmethoxymethyl)oxolane
CID 102941014
2-cyclopropyl-3-(2-pyridin-4-ylethyl)oxolane-3-carboxylic acid
CID 104509322
methyl (1R,2S,6R)-2-(phenylmethoxymethyl)-7-oxabicyclo[4.1.0]heptane-2-carboxylate
CID 98389801
2-cyclopropyl-3-(4-hydroxybutyl)oxolane-3-carboxylic acid
CID 104509164
2-cyclopropyl-3-(3-methoxypropyl)oxolane-3-carboxylic acid
CID 104509353
8-(phenylmethoxymethyl)-1,4-dioxaspiro[4.5]decane-8-carboxylic acid
CID 157424143
2-methyl-3-(2-phenylethyl)oxolane-3-carboxylic acid
CID 114533705
2-[1-(phenylmethoxymethyl)cyclopropyl]acetic acid
CID 65496133
1-(phenylmethoxymethyl)-2-oxabicyclo[2.2.2]octane-4-carboxylic acid
CID 167497503
2-cyclopropyl-3-(3-ethylsulfonylpropyl)oxolane-3-carboxylic acid
CID 104509316
benzyl (3aS,7aS)-3a-bromo-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-5-carboxylate
CID 155929864

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(phenylmethoxymethyl)oxolane-3-carboxylic acid?
The IUPAC name of 2-cyclopropyl-3-(phenylmethoxymethyl)oxolane-3-carboxylic acid (CID 102940040) is 2-cyclopropyl-3-(phenylmethoxymethyl)oxolane-3-carboxylic acid.
What is the SMILES notation for 2-cyclopropyl-3-(phenylmethoxymethyl)oxolane-3-carboxylic acid?
The canonical SMILES for 2-cyclopropyl-3-(phenylmethoxymethyl)oxolane-3-carboxylic acid is O=C(O)C1(COCc2ccccc2)CCOC1C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(phenylmethoxymethyl)oxolane-3-carboxylic acid?
The InChIKey is LIQBIJBWTLSBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O4/c17-15(18)16(8-9-20-14(16)13-6-7-13)11-19-10-12-4-2-1-3-5-12/h1-5,13-14H,6-11H2,(H,17,18).
What are the key properties of 2-cyclopropyl-3-(phenylmethoxymethyl)oxolane-3-carboxylic acid?
2-cyclopropyl-3-(phenylmethoxymethyl)oxolane-3-carboxylic acid has a molecular weight of 276.33 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(phenylmethoxymethyl)oxolane-3-carboxylic acid is sourced from PubChem (CID 102940040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).