methyl 2-(2-ethoxy-5-ethylphenyl)oxolane-2-carboxylate

C16H22O4 — CID 164571574

IUPACmethyl 2-(2-ethoxy-5-ethylphenyl)oxolane-2-carboxylate
SMILESCCOc1ccc(CC)cc1C1(C(=O)OC)CCCO1
InChIInChI=1S/C16H22O4/c1-4-12-7-8-14(19-5-2)13(11-12)16(15(17)18-3)9-6-10-20-16/h7-8,11H,4-6,9-10H2,1-3H3
InChIKeyXDMAQQNIMSTYMM-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.83
Rot. Bonds5

About methyl 2-(2-ethoxy-5-ethylphenyl)oxolane-2-carboxylate

methyl 2-(2-ethoxy-5-ethylphenyl)oxolane-2-carboxylate (PubChem CID 164571574) has the molecular formula C16H22O4 and a molecular weight of 278.35 g/mol. Its IUPAC name is methyl 2-(2-ethoxy-5-ethylphenyl)oxolane-2-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-ethoxy-5-ethylphenyl)oxolane-2-carboxylate
PubChem CID164571574
Molecular FormulaC16H22O4
Molecular Weight278.35 g/mol
Exact Mass278.15
IUPAC Namemethyl 2-(2-ethoxy-5-ethylphenyl)oxolane-2-carboxylate
SMILESCCOc1ccc(CC)cc1C1(C(=O)OC)CCCO1
InChIInChI=1S/C16H22O4/c1-4-12-7-8-14(19-5-2)13(11-12)16(15(17)18-3)9-6-10-20-16/h7-8,11H,4-6,9-10H2,1-3H3
InChIKeyXDMAQQNIMSTYMM-UHFFFAOYSA-N
XLogP2.83
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(2-ethoxy-5-ethylphenyl)oxolane-2-carboxylic acid
CID 164606521
(2R)-2-(2-ethoxy-5-ethylphenyl)-N-(2-methylquinolin-5-yl)sulfonyloxolane-2-carboxamide
CID 164571549
methyl 3-[(4-ethoxy-3-fluorophenyl)methyl]oxetane-3-carboxylate
CID 116930235
methyl 1-[(4-ethoxy-3-methylanilino)methyl]cyclopropane-1-carboxylate
CID 115247424
methyl 1-[(3-ethyl-4-methoxyphenyl)methyl]cyclobutane-1-carboxylate
CID 116929708
methyl 2-[[3-(aminomethyl)-4-methoxyphenyl]methyl]oxolane-2-carboxylate
CID 59712509
ethyl 2-(4-methoxyphenyl)oxane-2-carboxylate
CID 142504241
1-[1-[(5-ethyl-2-methoxyphenyl)methyl]cyclopropyl]ethanone
CID 95448950
2-[[4-ethoxy-3-[(4-ethoxyphenyl)carbamoyloxymethyl]phenyl]methyl]oxolane-2-carboxylic acid
CID 59712310
[1-[(3-ethoxy-4-methoxyphenyl)methylamino]cyclohexyl]methanol
CID 62519917
methyl 2-ethoxy-5-[(1-ethoxycycloheptanecarbonyl)amino]benzoate
CID 100762098
methyl 3-(3-ethoxy-4-methoxyphenyl)oxetane-3-carboxylate
CID 116989348

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-ethoxy-5-ethylphenyl)oxolane-2-carboxylate?
The IUPAC name of methyl 2-(2-ethoxy-5-ethylphenyl)oxolane-2-carboxylate (CID 164571574) is methyl 2-(2-ethoxy-5-ethylphenyl)oxolane-2-carboxylate.
What is the SMILES notation for methyl 2-(2-ethoxy-5-ethylphenyl)oxolane-2-carboxylate?
The canonical SMILES for methyl 2-(2-ethoxy-5-ethylphenyl)oxolane-2-carboxylate is CCOc1ccc(CC)cc1C1(C(=O)OC)CCCO1.
What is the InChIKey of methyl 2-(2-ethoxy-5-ethylphenyl)oxolane-2-carboxylate?
The InChIKey is XDMAQQNIMSTYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O4/c1-4-12-7-8-14(19-5-2)13(11-12)16(15(17)18-3)9-6-10-20-16/h7-8,11H,4-6,9-10H2,1-3H3.
What are the key properties of methyl 2-(2-ethoxy-5-ethylphenyl)oxolane-2-carboxylate?
methyl 2-(2-ethoxy-5-ethylphenyl)oxolane-2-carboxylate has a molecular weight of 278.35 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-ethoxy-5-ethylphenyl)oxolane-2-carboxylate is sourced from PubChem (CID 164571574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).