methyl (E)-3-(8-methylnaphthalen-1-yl)prop-2-enoate

C15H14O2 — CID 145265923

IUPACmethyl (E)-3-(8-methylnaphthalen-1-yl)prop-2-enoate
SMILESCOC(=O)/C=C/c1cccc2cccc(C)c12
InChIInChI=1S/C15H14O2/c1-11-5-3-6-12-7-4-8-13(15(11)12)9-10-14(16)17-2/h3-10H,1-2H3/b10-9+
InChIKeyAWTKQUFGCDYIGD-MDZDMXLPSA-N
MW226.27 g/mol
LogP3.33
Rot. Bonds2

About methyl (E)-3-(8-methylnaphthalen-1-yl)prop-2-enoate

methyl (E)-3-(8-methylnaphthalen-1-yl)prop-2-enoate (PubChem CID 145265923) has the molecular formula C15H14O2 and a molecular weight of 226.27 g/mol. Its IUPAC name is methyl (E)-3-(8-methylnaphthalen-1-yl)prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-(8-methylnaphthalen-1-yl)prop-2-enoate
PubChem CID145265923
Molecular FormulaC15H14O2
Molecular Weight226.27 g/mol
Exact Mass226.10
IUPAC Namemethyl (E)-3-(8-methylnaphthalen-1-yl)prop-2-enoate
SMILESCOC(=O)/C=C/c1cccc2cccc(C)c12
InChIInChI=1S/C15H14O2/c1-11-5-3-6-12-7-4-8-13(15(11)12)9-10-14(16)17-2/h3-10H,1-2H3/b10-9+
InChIKeyAWTKQUFGCDYIGD-MDZDMXLPSA-N
XLogP3.33
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 53.33
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 3-(2-acetamido-3-methylphenyl)prop-2-enoate
CID 57041202
methyl 3-(2-hydroxy-6-methylphenyl)prop-2-enoate
CID 169478717
methyl 3-(2-amino-3-fluorophenyl)prop-2-enoate
CID 85435170
3-(3-methoxy-3-oxoprop-1-enyl)-2-methylbenzoic acid
CID 169479186
methyl (E)-3-(2-formylphenyl)prop-2-enoate
CID 11321421
ethyl (E)-3-(4-methylisoquinolin-5-yl)prop-2-enoate
CID 82579895
methyl (E)-3-(2-aminophenyl)prop-2-enoate
CID 11240788
methyl 3-(7-oxabicyclo[4.1.0]hepta-1,3,5-trien-2-yl)prop-2-enoate
CID 87113568
methyl 3-(2-isothiocyanatophenyl)prop-2-enoate
CID 85423919
methyl (E)-3-(2-methyl-3-nitrophenyl)prop-2-enoate
CID 58288194
ethane;methyl (E)-3-(2-aminophenyl)prop-2-enoate
CID 91121602
methyl (E)-3-[2-[4-(4-methoxyphenoxy)phenoxy]phenyl]prop-2-enoate
CID 73427465

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-(8-methylnaphthalen-1-yl)prop-2-enoate?
The IUPAC name of methyl (E)-3-(8-methylnaphthalen-1-yl)prop-2-enoate (CID 145265923) is methyl (E)-3-(8-methylnaphthalen-1-yl)prop-2-enoate.
What is the SMILES notation for methyl (E)-3-(8-methylnaphthalen-1-yl)prop-2-enoate?
The canonical SMILES for methyl (E)-3-(8-methylnaphthalen-1-yl)prop-2-enoate is COC(=O)/C=C/c1cccc2cccc(C)c12.
What is the InChIKey of methyl (E)-3-(8-methylnaphthalen-1-yl)prop-2-enoate?
The InChIKey is AWTKQUFGCDYIGD-MDZDMXLPSA-N. The full InChI is InChI=1S/C15H14O2/c1-11-5-3-6-12-7-4-8-13(15(11)12)9-10-14(16)17-2/h3-10H,1-2H3/b10-9+.
What are the key properties of methyl (E)-3-(8-methylnaphthalen-1-yl)prop-2-enoate?
methyl (E)-3-(8-methylnaphthalen-1-yl)prop-2-enoate has a molecular weight of 226.27 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-(8-methylnaphthalen-1-yl)prop-2-enoate is sourced from PubChem (CID 145265923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).