methyl 3-(2,6-diethyl-4-methylphenyl)prop-2-enoate

C15H20O2 — CID 169479333

IUPACmethyl 3-(2,6-diethyl-4-methylphenyl)prop-2-enoate
SMILESCCc1cc(C)cc(CC)c1C=CC(=O)OC
InChIInChI=1S/C15H20O2/c1-5-12-9-11(3)10-13(6-2)14(12)7-8-15(16)17-4/h7-10H,5-6H2,1-4H3
InChIKeyKYGKXENCTRBAJY-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.31
Rot. Bonds4

About methyl 3-(2,6-diethyl-4-methylphenyl)prop-2-enoate

methyl 3-(2,6-diethyl-4-methylphenyl)prop-2-enoate (PubChem CID 169479333) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is methyl 3-(2,6-diethyl-4-methylphenyl)prop-2-enoate.

Molecular Properties

Compound Namemethyl 3-(2,6-diethyl-4-methylphenyl)prop-2-enoate
PubChem CID169479333
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Namemethyl 3-(2,6-diethyl-4-methylphenyl)prop-2-enoate
SMILESCCc1cc(C)cc(CC)c1C=CC(=O)OC
InChIInChI=1S/C15H20O2/c1-5-12-9-11(3)10-13(6-2)14(12)7-8-15(16)17-4/h7-10H,5-6H2,1-4H3
InChIKeyKYGKXENCTRBAJY-UHFFFAOYSA-N
XLogP3.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl (E)-3-[3,5-bis[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl]prop-2-enoate
CID 11823692
methyl (E)-3-(2,4,6-trifluorophenyl)prop-2-enoate
CID 102052525
methyl (E)-3-(2,3,5,6-tetrafluorophenyl)prop-2-enoate
CID 50905551
methyl 3-(2,3,5,6-tetrafluorophenyl)prop-2-enoate
CID 75578261
dimethyl (E)-2-(2,6-diethyl-4-methylanilino)but-2-enedioate
CID 168569068
methyl (E)-3-(2-ethoxy-4-methylphenyl)prop-2-enoate
CID 20596318
methyl (Z)-3-(3-ethylphenyl)prop-2-enoate
CID 97305033
methyl 3-(2-hydroxy-6-methylphenyl)prop-2-enoate
CID 169478717
methyl 3-(4-chloro-2,6-difluorophenyl)prop-2-enoate
CID 169479857
methyl (E)-3-(4-bromo-2,6-dichlorophenyl)prop-2-enoate
CID 86646793
methyl (E)-3-[2-[(E)-hex-1-enyl]-4-methylphenyl]prop-2-enoate
CID 135041775
methyl 3-[2,5-didodecyl-4-(3-methoxy-3-oxoprop-1-enyl)phenyl]prop-2-enoate
CID 67120808

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2,6-diethyl-4-methylphenyl)prop-2-enoate?
The IUPAC name of methyl 3-(2,6-diethyl-4-methylphenyl)prop-2-enoate (CID 169479333) is methyl 3-(2,6-diethyl-4-methylphenyl)prop-2-enoate.
What is the SMILES notation for methyl 3-(2,6-diethyl-4-methylphenyl)prop-2-enoate?
The canonical SMILES for methyl 3-(2,6-diethyl-4-methylphenyl)prop-2-enoate is CCc1cc(C)cc(CC)c1C=CC(=O)OC.
What is the InChIKey of methyl 3-(2,6-diethyl-4-methylphenyl)prop-2-enoate?
The InChIKey is KYGKXENCTRBAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-5-12-9-11(3)10-13(6-2)14(12)7-8-15(16)17-4/h7-10H,5-6H2,1-4H3.
What are the key properties of methyl 3-(2,6-diethyl-4-methylphenyl)prop-2-enoate?
methyl 3-(2,6-diethyl-4-methylphenyl)prop-2-enoate has a molecular weight of 232.32 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2,6-diethyl-4-methylphenyl)prop-2-enoate is sourced from PubChem (CID 169479333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).