methyl 3-methoxy-2-naphthalen-1-ylprop-2-enoate

C15H14O3 — CID 57075393

IUPACmethyl 3-methoxy-2-naphthalen-1-ylprop-2-enoate
SMILESCOC=C(C(=O)OC)c1cccc2ccccc12
InChIInChI=1S/C15H14O3/c1-17-10-14(15(16)18-2)13-9-5-7-11-6-3-4-8-12(11)13/h3-10H,1-2H3
InChIKeyOZUKAPWXAJDJQE-UHFFFAOYSA-N
MW242.27 g/mol
LogP3.00
Rot. Bonds3

About methyl 3-methoxy-2-naphthalen-1-ylprop-2-enoate

methyl 3-methoxy-2-naphthalen-1-ylprop-2-enoate (PubChem CID 57075393) has the molecular formula C15H14O3 and a molecular weight of 242.27 g/mol. Its IUPAC name is methyl 3-methoxy-2-naphthalen-1-ylprop-2-enoate.

Molecular Properties

Compound Namemethyl 3-methoxy-2-naphthalen-1-ylprop-2-enoate
PubChem CID57075393
Molecular FormulaC15H14O3
Molecular Weight242.27 g/mol
Exact Mass242.09
IUPAC Namemethyl 3-methoxy-2-naphthalen-1-ylprop-2-enoate
SMILESCOC=C(C(=O)OC)c1cccc2ccccc12
InChIInChI=1S/C15H14O3/c1-17-10-14(15(16)18-2)13-9-5-7-11-6-3-4-8-12(11)13/h3-10H,1-2H3
InChIKeyOZUKAPWXAJDJQE-UHFFFAOYSA-N
XLogP3.00
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[(Z)-1,3-dimethoxy-3-oxoprop-1-en-2-yl]benzoic acid
CID 12680860
methyl (Z)-4-hydroxy-4-naphthalen-1-yl-2-oxobut-3-enoate
CID 17245071
methyl 2-dibenzo-p-dioxin-1-yl-3-methoxyprop-2-enoate
CID 54436525
methyl (E)-2-[2-(3-hydroxyprop-1-enyl)phenyl]-3-methoxyprop-2-enoate
CID 70290887
methyl naphthalene-1-carboxylate;dihydrochloride
CID 141115110
methyl (E)-2-[2-(bromomethyl)-3-chlorophenyl]-3-methoxyprop-2-enoate
CID 171471963
methyl 3-methoxy-2-[2-[2-(2-methylphenyl)ethenyl]phenyl]prop-2-enoate
CID 70350136
methyl 3-methoxy-2-(7-methyl-1-benzothiophen-3-yl)prop-2-enoate
CID 54316426
sodium;hydride;methyl naphthalene-1-carboxylate
CID 173423630
methyl 3-methoxy-2-[2-[(3-methoxyphenoxy)methyl]phenyl]prop-2-enoate
CID 72740175
methyl 4-methyl-2-naphthalen-1-ylpenta-2,3-dienoate
CID 141258687
methyl 2-[2-(dimethoxyphosphoryloxymethyl)phenyl]-3-methoxyprop-2-enoate
CID 54169647

Frequently Asked Questions

What is the IUPAC name of methyl 3-methoxy-2-naphthalen-1-ylprop-2-enoate?
The IUPAC name of methyl 3-methoxy-2-naphthalen-1-ylprop-2-enoate (CID 57075393) is methyl 3-methoxy-2-naphthalen-1-ylprop-2-enoate.
What is the SMILES notation for methyl 3-methoxy-2-naphthalen-1-ylprop-2-enoate?
The canonical SMILES for methyl 3-methoxy-2-naphthalen-1-ylprop-2-enoate is COC=C(C(=O)OC)c1cccc2ccccc12.
What is the InChIKey of methyl 3-methoxy-2-naphthalen-1-ylprop-2-enoate?
The InChIKey is OZUKAPWXAJDJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3/c1-17-10-14(15(16)18-2)13-9-5-7-11-6-3-4-8-12(11)13/h3-10H,1-2H3.
What are the key properties of methyl 3-methoxy-2-naphthalen-1-ylprop-2-enoate?
methyl 3-methoxy-2-naphthalen-1-ylprop-2-enoate has a molecular weight of 242.27 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methoxy-2-naphthalen-1-ylprop-2-enoate is sourced from PubChem (CID 57075393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).