3-(3-phenylpropyl)oxolane-3-carboxylic acid

C14H18O3 — CID 62738542

IUPAC3-(3-phenylpropyl)oxolane-3-carboxylic acid
SMILESO=C(O)C1(CCCc2ccccc2)CCOC1
InChIInChI=1S/C14H18O3/c15-13(16)14(9-10-17-11-14)8-4-7-12-5-2-1-3-6-12/h1-3,5-6H,4,7-11H2,(H,15,16)
InChIKeyDGLYIGAFYIVBRY-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.50
Rot. Bonds5

About 3-(3-phenylpropyl)oxolane-3-carboxylic acid

3-(3-phenylpropyl)oxolane-3-carboxylic acid (PubChem CID 62738542) has the molecular formula C14H18O3 and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-(3-phenylpropyl)oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-(3-phenylpropyl)oxolane-3-carboxylic acid
PubChem CID62738542
Molecular FormulaC14H18O3
Molecular Weight234.30 g/mol
Exact Mass234.13
IUPAC Name3-(3-phenylpropyl)oxolane-3-carboxylic acid
SMILESO=C(O)C1(CCCc2ccccc2)CCOC1
InChIInChI=1S/C14H18O3/c15-13(16)14(9-10-17-11-14)8-4-7-12-5-2-1-3-6-12/h1-3,5-6H,4,7-11H2,(H,15,16)
InChIKeyDGLYIGAFYIVBRY-UHFFFAOYSA-N
XLogP2.50
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-phenylbutyl)cyclopropane-1-carboxylic acid
CID 114334160
3-(2-thiophen-2-ylethyl)oxolane-3-carboxylic acid
CID 63774395
1-(4-phenylbutyl)cyclobutane-1-carboxylic acid
CID 114334159
1-(oxolan-3-ylmethyl)-4-(3-phenylpropyl)piperidine-4-carboxylic acid
CID 56879985
3-[[benzyl(methyl)amino]methyl]oxolane-3-carboxylic acid
CID 62272842
3-dodecyloxolane-3-carboxylic acid
CID 63402957
3-[2-(4-methoxyphenyl)ethyl]oxane-3-carboxylic acid
CID 103719445
methyl 1-(3-phenylpropyl)cyclopropane-1-carboxylate
CID 86231403
3-(thiophen-3-ylmethyl)oxolane-3-carboxylic acid
CID 62740627
3-phenylpropyl 4-(aminomethyl)oxane-4-carboxylate
CID 115440250
3-(3-methylbut-3-enyl)oxolane-3-carboxylic acid
CID 114473272
3-[(4-fluorophenyl)methyl]oxolane-3-carboxylic acid
CID 62740795

Frequently Asked Questions

What is the IUPAC name of 3-(3-phenylpropyl)oxolane-3-carboxylic acid?
The IUPAC name of 3-(3-phenylpropyl)oxolane-3-carboxylic acid (CID 62738542) is 3-(3-phenylpropyl)oxolane-3-carboxylic acid.
What is the SMILES notation for 3-(3-phenylpropyl)oxolane-3-carboxylic acid?
The canonical SMILES for 3-(3-phenylpropyl)oxolane-3-carboxylic acid is O=C(O)C1(CCCc2ccccc2)CCOC1.
What is the InChIKey of 3-(3-phenylpropyl)oxolane-3-carboxylic acid?
The InChIKey is DGLYIGAFYIVBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c15-13(16)14(9-10-17-11-14)8-4-7-12-5-2-1-3-6-12/h1-3,5-6H,4,7-11H2,(H,15,16).
What are the key properties of 3-(3-phenylpropyl)oxolane-3-carboxylic acid?
3-(3-phenylpropyl)oxolane-3-carboxylic acid has a molecular weight of 234.30 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-phenylpropyl)oxolane-3-carboxylic acid is sourced from PubChem (CID 62738542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).