ethyl 2-(4-methoxyphenyl)oxane-2-carboxylate

C15H20O4 — CID 142504241

IUPACethyl 2-(4-methoxyphenyl)oxane-2-carboxylate
SMILESCCOC(=O)C1(c2ccc(OC)cc2)CCCCO1
InChIInChI=1S/C15H20O4/c1-3-18-14(16)15(10-4-5-11-19-15)12-6-8-13(17-2)9-7-12/h6-9H,3-5,10-11H2,1-2H3
InChIKeyNIMUKHPCQAZWRO-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.65
Rot. Bonds4

About ethyl 2-(4-methoxyphenyl)oxane-2-carboxylate

ethyl 2-(4-methoxyphenyl)oxane-2-carboxylate (PubChem CID 142504241) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is ethyl 2-(4-methoxyphenyl)oxane-2-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-methoxyphenyl)oxane-2-carboxylate
PubChem CID142504241
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Nameethyl 2-(4-methoxyphenyl)oxane-2-carboxylate
SMILESCCOC(=O)C1(c2ccc(OC)cc2)CCCCO1
InChIInChI=1S/C15H20O4/c1-3-18-14(16)15(10-4-5-11-19-15)12-6-8-13(17-2)9-7-12/h6-9H,3-5,10-11H2,1-2H3
InChIKeyNIMUKHPCQAZWRO-UHFFFAOYSA-N
XLogP2.65
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-methoxyphenyl)oxane-2-carboxylate?
The IUPAC name of ethyl 2-(4-methoxyphenyl)oxane-2-carboxylate (CID 142504241) is ethyl 2-(4-methoxyphenyl)oxane-2-carboxylate.
What is the SMILES notation for ethyl 2-(4-methoxyphenyl)oxane-2-carboxylate?
The canonical SMILES for ethyl 2-(4-methoxyphenyl)oxane-2-carboxylate is CCOC(=O)C1(c2ccc(OC)cc2)CCCCO1.
What is the InChIKey of ethyl 2-(4-methoxyphenyl)oxane-2-carboxylate?
The InChIKey is NIMUKHPCQAZWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-3-18-14(16)15(10-4-5-11-19-15)12-6-8-13(17-2)9-7-12/h6-9H,3-5,10-11H2,1-2H3.
What are the key properties of ethyl 2-(4-methoxyphenyl)oxane-2-carboxylate?
ethyl 2-(4-methoxyphenyl)oxane-2-carboxylate has a molecular weight of 264.32 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-methoxyphenyl)oxane-2-carboxylate is sourced from PubChem (CID 142504241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).