methyl 2-phenyloxolane-2-carboxylate

C12H14O3 — CID 164680656

IUPACmethyl 2-phenyloxolane-2-carboxylate
SMILESCOC(=O)C1(c2ccccc2)CCCO1
InChIInChI=1S/C12H14O3/c1-14-11(13)12(8-5-9-15-12)10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3
InChIKeyTUVJKCMMKBNFHH-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.87
Rot. Bonds2

About methyl 2-phenyloxolane-2-carboxylate

methyl 2-phenyloxolane-2-carboxylate (PubChem CID 164680656) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is methyl 2-phenyloxolane-2-carboxylate.

Molecular Properties

Compound Namemethyl 2-phenyloxolane-2-carboxylate
PubChem CID164680656
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Namemethyl 2-phenyloxolane-2-carboxylate
SMILESCOC(=O)C1(c2ccccc2)CCCO1
InChIInChI=1S/C12H14O3/c1-14-11(13)12(8-5-9-15-12)10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3
InChIKeyTUVJKCMMKBNFHH-UHFFFAOYSA-N
XLogP1.87
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-phenyloxolane-2-carboxylate?
The IUPAC name of methyl 2-phenyloxolane-2-carboxylate (CID 164680656) is methyl 2-phenyloxolane-2-carboxylate.
What is the SMILES notation for methyl 2-phenyloxolane-2-carboxylate?
The canonical SMILES for methyl 2-phenyloxolane-2-carboxylate is COC(=O)C1(c2ccccc2)CCCO1.
What is the InChIKey of methyl 2-phenyloxolane-2-carboxylate?
The InChIKey is TUVJKCMMKBNFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c1-14-11(13)12(8-5-9-15-12)10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3.
What are the key properties of methyl 2-phenyloxolane-2-carboxylate?
methyl 2-phenyloxolane-2-carboxylate has a molecular weight of 206.24 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-phenyloxolane-2-carboxylate is sourced from PubChem (CID 164680656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).