[5-(4-ethylphenyl)-3-pyridinyl] methyl carbonate

C15H15NO3 — CID 66701422

IUPAC[5-(4-ethylphenyl)-3-pyridinyl] methyl carbonate
SMILESCCc1ccc(-c2cncc(OC(=O)OC)c2)cc1
InChIInChI=1S/C15H15NO3/c1-3-11-4-6-12(7-5-11)13-8-14(10-16-9-13)19-15(17)18-2/h4-10H,3H2,1-2H3
InChIKeyUCWFIQCNVUTKCT-UHFFFAOYSA-N
MW257.29 g/mol
LogP3.46
Rot. Bonds3

About [5-(4-ethylphenyl)-3-pyridinyl] methyl carbonate

[5-(4-ethylphenyl)-3-pyridinyl] methyl carbonate (PubChem CID 66701422) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is [5-(4-ethylphenyl)-3-pyridinyl] methyl carbonate.

Molecular Properties

Compound Name[5-(4-ethylphenyl)-3-pyridinyl] methyl carbonate
PubChem CID66701422
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name[5-(4-ethylphenyl)-3-pyridinyl] methyl carbonate
SMILESCCc1ccc(-c2cncc(OC(=O)OC)c2)cc1
InChIInChI=1S/C15H15NO3/c1-3-11-4-6-12(7-5-11)13-8-14(10-16-9-13)19-15(17)18-2/h4-10H,3H2,1-2H3
InChIKeyUCWFIQCNVUTKCT-UHFFFAOYSA-N
XLogP3.46
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[4-(5-ethoxy-3-pyridinyl)phenyl]benzoate
CID 171698039
(3,5-diethylphenyl) methyl carbonate
CID 174729067
(4-ethylphenyl) (4-phenylphenyl) carbonate
CID 118690250
methyl 2-[4-(4-ethylphenyl)phenyl]acetate
CID 20610301
3-[3,5-bis(4-tert-butylphenyl)phenyl]-5-[3-(4-tert-butylphenyl)-5-(4-ethylphenyl)phenyl]pyridine
CID 159992770
bis(4-ethylphenyl) carbonate;carbonic acid
CID 159757999
methyl 2-fluoro-4-(5-methoxy-3-pyridinyl)benzoate
CID 70699864
methyl 2-(2-hydroxyethyl)-6-[4-(5-methoxy-3-pyridinyl)phenyl]benzoate
CID 70031981
3-(4-ethylphenyl)-5-methoxyphenol
CID 53220748
methyl 5-(4-fluorophenyl)pyridine-3-carboxylate
CID 22743456
methyl 5-ethylpyridine-3-carboxylate
CID 5323747
4-(4-methoxycarbonyloxyphenyl)benzoic acid
CID 18328408

Frequently Asked Questions

What is the IUPAC name of [5-(4-ethylphenyl)-3-pyridinyl] methyl carbonate?
The IUPAC name of [5-(4-ethylphenyl)-3-pyridinyl] methyl carbonate (CID 66701422) is [5-(4-ethylphenyl)-3-pyridinyl] methyl carbonate.
What is the SMILES notation for [5-(4-ethylphenyl)-3-pyridinyl] methyl carbonate?
The canonical SMILES for [5-(4-ethylphenyl)-3-pyridinyl] methyl carbonate is CCc1ccc(-c2cncc(OC(=O)OC)c2)cc1.
What is the InChIKey of [5-(4-ethylphenyl)-3-pyridinyl] methyl carbonate?
The InChIKey is UCWFIQCNVUTKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-3-11-4-6-12(7-5-11)13-8-14(10-16-9-13)19-15(17)18-2/h4-10H,3H2,1-2H3.
What are the key properties of [5-(4-ethylphenyl)-3-pyridinyl] methyl carbonate?
[5-(4-ethylphenyl)-3-pyridinyl] methyl carbonate has a molecular weight of 257.29 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-ethylphenyl)-3-pyridinyl] methyl carbonate is sourced from PubChem (CID 66701422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).