4-phenyl-2-propan-2-yloxolane-3-carboxylic acid

C14H18O3 — CID 165476030

IUPAC4-phenyl-2-propan-2-yloxolane-3-carboxylic acid
SMILESCC(C)C1OCC(c2ccccc2)C1C(=O)O
InChIInChI=1S/C14H18O3/c1-9(2)13-12(14(15)16)11(8-17-13)10-6-4-3-5-7-10/h3-7,9,11-13H,8H2,1-2H3,(H,15,16)
InChIKeyXCZOEZIRKUCPJC-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.53
Rot. Bonds3

About 4-phenyl-2-propan-2-yloxolane-3-carboxylic acid

4-phenyl-2-propan-2-yloxolane-3-carboxylic acid (PubChem CID 165476030) has the molecular formula C14H18O3 and a molecular weight of 234.30 g/mol. Its IUPAC name is 4-phenyl-2-propan-2-yloxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-phenyl-2-propan-2-yloxolane-3-carboxylic acid
PubChem CID165476030
Molecular FormulaC14H18O3
Molecular Weight234.30 g/mol
Exact Mass234.13
IUPAC Name4-phenyl-2-propan-2-yloxolane-3-carboxylic acid
SMILESCC(C)C1OCC(c2ccccc2)C1C(=O)O
InChIInChI=1S/C14H18O3/c1-9(2)13-12(14(15)16)11(8-17-13)10-6-4-3-5-7-10/h3-7,9,11-13H,8H2,1-2H3,(H,15,16)
InChIKeyXCZOEZIRKUCPJC-UHFFFAOYSA-N
XLogP2.53
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-phenyl-2-propan-2-yloxolane
CID 157227826
(2-phenyl-1,3-dioxan-5-yl) (2S)-2-aminopropanoate
CID 102258181
ethane;2-phenylcyclopropane-1-carboxylic acid
CID 91570346
3-phenyl-4-propan-2-yloxolane
CID 85213034
(3R,4S)-3-phenyl-4-propan-2-yloxolane
CID 10631550
methyl (2R)-2-[(2R,3S,5R)-5-methyl-3-phenyloxolan-2-yl]propanoate
CID 134900360
cis-(1R,2S)-2-phenylcyclopropane-1-carboxylic acid
CID 778516
(1S,2S,3R,4R,5S)-5-phenyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid
CID 3065933
(7S,9S)-7,9-diphenyl-1,4-dioxaspiro[4.5]decane-8-carboxylic acid
CID 12885727
3-phenyloxolane-2-carboxylic acid
CID 122200609
1-methyl-4-phenylpiperidine-2,3-dicarboxylic acid
CID 71398204
(2R,3S)-3-phenyl-2-propan-2-yloxyoxane
CID 101393454

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-propan-2-yloxolane-3-carboxylic acid?
The IUPAC name of 4-phenyl-2-propan-2-yloxolane-3-carboxylic acid (CID 165476030) is 4-phenyl-2-propan-2-yloxolane-3-carboxylic acid.
What is the SMILES notation for 4-phenyl-2-propan-2-yloxolane-3-carboxylic acid?
The canonical SMILES for 4-phenyl-2-propan-2-yloxolane-3-carboxylic acid is CC(C)C1OCC(c2ccccc2)C1C(=O)O.
What is the InChIKey of 4-phenyl-2-propan-2-yloxolane-3-carboxylic acid?
The InChIKey is XCZOEZIRKUCPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-9(2)13-12(14(15)16)11(8-17-13)10-6-4-3-5-7-10/h3-7,9,11-13H,8H2,1-2H3,(H,15,16).
What are the key properties of 4-phenyl-2-propan-2-yloxolane-3-carboxylic acid?
4-phenyl-2-propan-2-yloxolane-3-carboxylic acid has a molecular weight of 234.30 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-propan-2-yloxolane-3-carboxylic acid is sourced from PubChem (CID 165476030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).