ethyl (E)-3-[3-methoxy-4-(methoxymethoxy)-5-methylnaphthalen-1-yl]prop-2-enoate

C19H22O5 — CID 10019525

IUPACethyl (E)-3-[3-methoxy-4-(methoxymethoxy)-5-methylnaphthalen-1-yl]prop-2-enoate
SMILESCCOC(=O)/C=C/c1cc(OC)c(OCOC)c2c(C)cccc12
InChIInChI=1S/C19H22O5/c1-5-23-17(20)10-9-14-11-16(22-4)19(24-12-21-3)18-13(2)7-6-8-15(14)18/h6-11H,5,12H2,1-4H3/b10-9+
InChIKeyLWZUQIGNRSIUPI-MDZDMXLPSA-N
MW330.38 g/mol
LogP3.72
Rot. Bonds7

About ethyl (E)-3-[3-methoxy-4-(methoxymethoxy)-5-methylnaphthalen-1-yl]prop-2-enoate

ethyl (E)-3-[3-methoxy-4-(methoxymethoxy)-5-methylnaphthalen-1-yl]prop-2-enoate (PubChem CID 10019525) has the molecular formula C19H22O5 and a molecular weight of 330.38 g/mol. Its IUPAC name is ethyl (E)-3-[3-methoxy-4-(methoxymethoxy)-5-methylnaphthalen-1-yl]prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-[3-methoxy-4-(methoxymethoxy)-5-methylnaphthalen-1-yl]prop-2-enoate
PubChem CID10019525
Molecular FormulaC19H22O5
Molecular Weight330.38 g/mol
Exact Mass330.15
IUPAC Nameethyl (E)-3-[3-methoxy-4-(methoxymethoxy)-5-methylnaphthalen-1-yl]prop-2-enoate
SMILESCCOC(=O)/C=C/c1cc(OC)c(OCOC)c2c(C)cccc12
InChIInChI=1S/C19H22O5/c1-5-23-17(20)10-9-14-11-16(22-4)19(24-12-21-3)18-13(2)7-6-8-15(14)18/h6-11H,5,12H2,1-4H3/b10-9+
InChIKeyLWZUQIGNRSIUPI-MDZDMXLPSA-N
XLogP3.72
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl (Z)-3-[3-methoxy-4-(methoxymethoxy)naphthalen-1-yl]prop-2-enoate
CID 10425877
ethyl (E)-3-[3-ethoxy-5-ethyl-4-(methoxymethoxy)naphthalen-1-yl]prop-2-enoate
CID 10338451
ethyl (Z)-3-[5-ethyl-3-(2-methoxyethoxy)-4-(methoxymethoxy)naphthalen-1-yl]prop-2-enoate
CID 10385609
ethyl (Z)-3-[5-ethyl-4-(methoxymethoxy)-3-pentoxynaphthalen-1-yl]prop-2-enoate
CID 10250397
ethyl (E)-3-[5-ethyl-3-methoxy-4-(methoxymethoxy)naphthalen-1-yl]but-2-enoate
CID 10066966
ethyl 3-[2-(methoxymethoxy)-3-methylphenyl]-3-(2-methoxyphenyl)prop-2-enoate
CID 54221000
ethyl 3-(2,6-dimethoxyphenyl)prop-2-enoate
CID 53401866
ethyl (E)-3-(2,6-dimethoxyphenyl)prop-2-enoate
CID 15183932
(Z)-3-[5-ethyl-3-methoxy-4-(methoxymethoxy)naphthalen-1-yl]-2-phenylprop-2-enoic acid
CID 11741233
2-(3-ethoxy-3-oxoprop-1-enyl)-6-methoxybenzoic acid
CID 169480788
ethyl (E)-3-(2-fluoro-3-methoxyphenyl)prop-2-enoate
CID 119086600
ethyl (E)-3-(2-methoxy-4-methylphenyl)prop-2-enoate
CID 28689337

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-[3-methoxy-4-(methoxymethoxy)-5-methylnaphthalen-1-yl]prop-2-enoate?
The IUPAC name of ethyl (E)-3-[3-methoxy-4-(methoxymethoxy)-5-methylnaphthalen-1-yl]prop-2-enoate (CID 10019525) is ethyl (E)-3-[3-methoxy-4-(methoxymethoxy)-5-methylnaphthalen-1-yl]prop-2-enoate.
What is the SMILES notation for ethyl (E)-3-[3-methoxy-4-(methoxymethoxy)-5-methylnaphthalen-1-yl]prop-2-enoate?
The canonical SMILES for ethyl (E)-3-[3-methoxy-4-(methoxymethoxy)-5-methylnaphthalen-1-yl]prop-2-enoate is CCOC(=O)/C=C/c1cc(OC)c(OCOC)c2c(C)cccc12.
What is the InChIKey of ethyl (E)-3-[3-methoxy-4-(methoxymethoxy)-5-methylnaphthalen-1-yl]prop-2-enoate?
The InChIKey is LWZUQIGNRSIUPI-MDZDMXLPSA-N. The full InChI is InChI=1S/C19H22O5/c1-5-23-17(20)10-9-14-11-16(22-4)19(24-12-21-3)18-13(2)7-6-8-15(14)18/h6-11H,5,12H2,1-4H3/b10-9+.
What are the key properties of ethyl (E)-3-[3-methoxy-4-(methoxymethoxy)-5-methylnaphthalen-1-yl]prop-2-enoate?
ethyl (E)-3-[3-methoxy-4-(methoxymethoxy)-5-methylnaphthalen-1-yl]prop-2-enoate has a molecular weight of 330.38 g/mol, XLogP of 3.72, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-[3-methoxy-4-(methoxymethoxy)-5-methylnaphthalen-1-yl]prop-2-enoate is sourced from PubChem (CID 10019525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).