ethyl 5-[4-[(6-methyl-3-pyridinyl)oxy]phenyl]pentanoate

C19H23NO3 — CID 161119875

IUPACethyl 5-[4-[(6-methyl-3-pyridinyl)oxy]phenyl]pentanoate
SMILESCCOC(=O)CCCCc1ccc(Oc2ccc(C)nc2)cc1
InChIInChI=1S/C19H23NO3/c1-3-22-19(21)7-5-4-6-16-9-12-17(13-10-16)23-18-11-8-15(2)20-14-18/h8-14H,3-7H2,1-2H3
InChIKeyUKUQBJXTPQVZBM-UHFFFAOYSA-N
MW313.40 g/mol
LogP4.46
Rot. Bonds8

About ethyl 5-[4-[(6-methyl-3-pyridinyl)oxy]phenyl]pentanoate

ethyl 5-[4-[(6-methyl-3-pyridinyl)oxy]phenyl]pentanoate (PubChem CID 161119875) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is ethyl 5-[4-[(6-methyl-3-pyridinyl)oxy]phenyl]pentanoate.

Molecular Properties

Compound Nameethyl 5-[4-[(6-methyl-3-pyridinyl)oxy]phenyl]pentanoate
PubChem CID161119875
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Nameethyl 5-[4-[(6-methyl-3-pyridinyl)oxy]phenyl]pentanoate
SMILESCCOC(=O)CCCCc1ccc(Oc2ccc(C)nc2)cc1
InChIInChI=1S/C19H23NO3/c1-3-22-19(21)7-5-4-6-16-9-12-17(13-10-16)23-18-11-8-15(2)20-14-18/h8-14H,3-7H2,1-2H3
InChIKeyUKUQBJXTPQVZBM-UHFFFAOYSA-N
XLogP4.46
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 5-(4-phenoxyphenyl)pentanoate
CID 10494313
ethyl 5-[4-(3-methylphenoxy)phenyl]pentanoate
CID 139655795
ethyl 10-(4-methoxyphenyl)decanoate
CID 134946560
ethyl 5-(4-prop-2-enoxyphenyl)pentanoate
CID 159399801
2-[4-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine
CID 55239141
ethyl 13-(4-bromophenyl)tridecanoate
CID 134946562
ethyl 4-(4-methylphenyl)butanoate
CID 10013221
ethyl 3-(4-butylphenoxy)propanoate
CID 115492144
ethyl 6-[4-(methylsulfanylmethyl)phenyl]hexanoate
CID 143472880
ethyl 4-(4-hydroxyphenyl)butanoate
CID 11333255
ethyl 5-[4-(2,5-dimethylpyrrol-1-yl)phenyl]pentanoate
CID 19905466
ethyl 5-[4-(2-cyclopropylethyl)phenyl]pentanoate
CID 162013129

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[4-[(6-methyl-3-pyridinyl)oxy]phenyl]pentanoate?
The IUPAC name of ethyl 5-[4-[(6-methyl-3-pyridinyl)oxy]phenyl]pentanoate (CID 161119875) is ethyl 5-[4-[(6-methyl-3-pyridinyl)oxy]phenyl]pentanoate.
What is the SMILES notation for ethyl 5-[4-[(6-methyl-3-pyridinyl)oxy]phenyl]pentanoate?
The canonical SMILES for ethyl 5-[4-[(6-methyl-3-pyridinyl)oxy]phenyl]pentanoate is CCOC(=O)CCCCc1ccc(Oc2ccc(C)nc2)cc1.
What is the InChIKey of ethyl 5-[4-[(6-methyl-3-pyridinyl)oxy]phenyl]pentanoate?
The InChIKey is UKUQBJXTPQVZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-3-22-19(21)7-5-4-6-16-9-12-17(13-10-16)23-18-11-8-15(2)20-14-18/h8-14H,3-7H2,1-2H3.
What are the key properties of ethyl 5-[4-[(6-methyl-3-pyridinyl)oxy]phenyl]pentanoate?
ethyl 5-[4-[(6-methyl-3-pyridinyl)oxy]phenyl]pentanoate has a molecular weight of 313.40 g/mol, XLogP of 4.46, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[4-[(6-methyl-3-pyridinyl)oxy]phenyl]pentanoate is sourced from PubChem (CID 161119875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).