ethyl (E)-3-(2-methoxynaphthalen-1-yl)prop-2-enoate

C16H16O3 — CID 24905749

IUPACethyl (E)-3-(2-methoxynaphthalen-1-yl)prop-2-enoate
SMILESCCOC(=O)/C=C/c1c(OC)ccc2ccccc12
InChIInChI=1S/C16H16O3/c1-3-19-16(17)11-9-14-13-7-5-4-6-12(13)8-10-15(14)18-2/h4-11H,3H2,1-2H3/b11-9+
InChIKeyJBHHZRCLRMVEKY-PKNBQFBNSA-N
MW256.30 g/mol
LogP3.42
Rot. Bonds4

About ethyl (E)-3-(2-methoxynaphthalen-1-yl)prop-2-enoate

ethyl (E)-3-(2-methoxynaphthalen-1-yl)prop-2-enoate (PubChem CID 24905749) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is ethyl (E)-3-(2-methoxynaphthalen-1-yl)prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-(2-methoxynaphthalen-1-yl)prop-2-enoate
PubChem CID24905749
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Nameethyl (E)-3-(2-methoxynaphthalen-1-yl)prop-2-enoate
SMILESCCOC(=O)/C=C/c1c(OC)ccc2ccccc12
InChIInChI=1S/C16H16O3/c1-3-19-16(17)11-9-14-13-7-5-4-6-12(13)8-10-15(14)18-2/h4-11H,3H2,1-2H3/b11-9+
InChIKeyJBHHZRCLRMVEKY-PKNBQFBNSA-N
XLogP3.42
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methoxynaphthalen-1-yl)prop-2-enamide
CID 169482467
ethyl 3-(2,6-dimethoxyphenyl)prop-2-enoate
CID 53401866
ethyl (E)-3-(2,6-dimethoxyphenyl)prop-2-enoate
CID 15183932
(E)-4-(2-methoxynaphthalen-1-yl)-2-oxobut-3-enoic acid
CID 82161137
(E)-3-(2-methoxynaphthalen-1-yl)-1-phenylprop-2-en-1-one
CID 5351689
ethyl (E)-3-[2-(2-hydroxyethyl)naphthalen-1-yl]prop-2-enoate
CID 102309016
ethyl (E)-3-(2-methoxy-6-phenylphenyl)prop-2-enoate
CID 102081965
ethyl (E)-3-(3,6-dimethoxy-2-nitrophenyl)prop-2-enoate
CID 70587765
ethyl (Z)-3-naphthalen-1-ylprop-2-enoate
CID 101030806
methyl (E)-3-(2-propan-2-yloxynaphthalen-1-yl)prop-2-enoate
CID 10635746
ethyl (E)-3-[2-(2-methylphenyl)sulfanylnaphthalen-1-yl]prop-2-enoate
CID 146162708
(E)-3-(2-methoxynaphthalen-1-yl)-1-thiophen-2-ylprop-2-en-1-one
CID 82185585

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-(2-methoxynaphthalen-1-yl)prop-2-enoate?
The IUPAC name of ethyl (E)-3-(2-methoxynaphthalen-1-yl)prop-2-enoate (CID 24905749) is ethyl (E)-3-(2-methoxynaphthalen-1-yl)prop-2-enoate.
What is the SMILES notation for ethyl (E)-3-(2-methoxynaphthalen-1-yl)prop-2-enoate?
The canonical SMILES for ethyl (E)-3-(2-methoxynaphthalen-1-yl)prop-2-enoate is CCOC(=O)/C=C/c1c(OC)ccc2ccccc12.
What is the InChIKey of ethyl (E)-3-(2-methoxynaphthalen-1-yl)prop-2-enoate?
The InChIKey is JBHHZRCLRMVEKY-PKNBQFBNSA-N. The full InChI is InChI=1S/C16H16O3/c1-3-19-16(17)11-9-14-13-7-5-4-6-12(13)8-10-15(14)18-2/h4-11H,3H2,1-2H3/b11-9+.
What are the key properties of ethyl (E)-3-(2-methoxynaphthalen-1-yl)prop-2-enoate?
ethyl (E)-3-(2-methoxynaphthalen-1-yl)prop-2-enoate has a molecular weight of 256.30 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-(2-methoxynaphthalen-1-yl)prop-2-enoate is sourced from PubChem (CID 24905749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).