ethyl (Z)-3-[3-methoxy-4-(methoxymethoxy)naphthalen-1-yl]prop-2-enoate

C18H20O5 — CID 10425877

IUPACethyl (Z)-3-[3-methoxy-4-(methoxymethoxy)naphthalen-1-yl]prop-2-enoate
SMILESCCOC(=O)/C=C\c1cc(OC)c(OCOC)c2ccccc12
InChIInChI=1S/C18H20O5/c1-4-22-17(19)10-9-13-11-16(21-3)18(23-12-20-2)15-8-6-5-7-14(13)15/h5-11H,4,12H2,1-3H3/b10-9-
InChIKeyYQLPUIOYIUSRGB-KTKRTIGZSA-N
MW316.35 g/mol
LogP3.41
Rot. Bonds7

About ethyl (Z)-3-[3-methoxy-4-(methoxymethoxy)naphthalen-1-yl]prop-2-enoate

ethyl (Z)-3-[3-methoxy-4-(methoxymethoxy)naphthalen-1-yl]prop-2-enoate (PubChem CID 10425877) has the molecular formula C18H20O5 and a molecular weight of 316.35 g/mol. Its IUPAC name is ethyl (Z)-3-[3-methoxy-4-(methoxymethoxy)naphthalen-1-yl]prop-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-3-[3-methoxy-4-(methoxymethoxy)naphthalen-1-yl]prop-2-enoate
PubChem CID10425877
Molecular FormulaC18H20O5
Molecular Weight316.35 g/mol
Exact Mass316.13
IUPAC Nameethyl (Z)-3-[3-methoxy-4-(methoxymethoxy)naphthalen-1-yl]prop-2-enoate
SMILESCCOC(=O)/C=C\c1cc(OC)c(OCOC)c2ccccc12
InChIInChI=1S/C18H20O5/c1-4-22-17(19)10-9-13-11-16(21-3)18(23-12-20-2)15-8-6-5-7-14(13)15/h5-11H,4,12H2,1-3H3/b10-9-
InChIKeyYQLPUIOYIUSRGB-KTKRTIGZSA-N
XLogP3.41
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 53.41
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 (E)-3-[3-methoxy-4-(methoxymethoxy)-5-methylnaphthalen-1-yl]prop-2-enoate
CID 10019525
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-(2-methoxynaphthalen-1-yl)prop-2-enoate
CID 24905749
ethyl 3-(4-aminonaphthalen-1-yl)prop-2-enoate
CID 169480916
ethyl (E)-3-(2-methoxy-4-methylphenyl)prop-2-enoate
CID 28689337
ethyl (Z)-3-naphthalen-1-ylprop-2-enoate
CID 101030806
ethyl (E)-3-(5-fluoro-2-methoxyphenyl)prop-2-enoate
CID 10537093
ethyl 3-[2-bromo-4-[(4-ethoxyphenyl)methoxy]-3,5-dimethoxyphenyl]prop-2-enoate
CID 141140358
ethyl 3-[2-(methoxymethoxy)-3-methylphenyl]-3-(2-methoxyphenyl)prop-2-enoate
CID 54221000
ethyl (E)-3-(1-benzothiophen-3-yl)prop-2-enoate
CID 67918737

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-3-[3-methoxy-4-(methoxymethoxy)naphthalen-1-yl]prop-2-enoate?
The IUPAC name of ethyl (Z)-3-[3-methoxy-4-(methoxymethoxy)naphthalen-1-yl]prop-2-enoate (CID 10425877) is ethyl (Z)-3-[3-methoxy-4-(methoxymethoxy)naphthalen-1-yl]prop-2-enoate.
What is the SMILES notation for ethyl (Z)-3-[3-methoxy-4-(methoxymethoxy)naphthalen-1-yl]prop-2-enoate?
The canonical SMILES for ethyl (Z)-3-[3-methoxy-4-(methoxymethoxy)naphthalen-1-yl]prop-2-enoate is CCOC(=O)/C=C\c1cc(OC)c(OCOC)c2ccccc12.
What is the InChIKey of ethyl (Z)-3-[3-methoxy-4-(methoxymethoxy)naphthalen-1-yl]prop-2-enoate?
The InChIKey is YQLPUIOYIUSRGB-KTKRTIGZSA-N. The full InChI is InChI=1S/C18H20O5/c1-4-22-17(19)10-9-13-11-16(21-3)18(23-12-20-2)15-8-6-5-7-14(13)15/h5-11H,4,12H2,1-3H3/b10-9-.
What are the key properties of ethyl (Z)-3-[3-methoxy-4-(methoxymethoxy)naphthalen-1-yl]prop-2-enoate?
ethyl (Z)-3-[3-methoxy-4-(methoxymethoxy)naphthalen-1-yl]prop-2-enoate has a molecular weight of 316.35 g/mol, XLogP of 3.41, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-3-[3-methoxy-4-(methoxymethoxy)naphthalen-1-yl]prop-2-enoate is sourced from PubChem (CID 10425877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).