methyl 2-[(Z)-2-(furan-2-yl)ethenyl]-4,6-dimethoxybenzoate

C16H16O5 — CID 141364342

IUPACmethyl 2-[(Z)-2-(furan-2-yl)ethenyl]-4,6-dimethoxybenzoate
SMILESCOC(=O)c1c(/C=C\c2ccco2)cc(OC)cc1OC
InChIInChI=1S/C16H16O5/c1-18-13-9-11(6-7-12-5-4-8-21-12)15(16(17)20-3)14(10-13)19-2/h4-10H,1-3H3/b7-6-
InChIKeyFMWJQBUMLBDNSH-SREVYHEPSA-N
MW288.30 g/mol
LogP3.25
Rot. Bonds5

About methyl 2-[(Z)-2-(furan-2-yl)ethenyl]-4,6-dimethoxybenzoate

methyl 2-[(Z)-2-(furan-2-yl)ethenyl]-4,6-dimethoxybenzoate (PubChem CID 141364342) has the molecular formula C16H16O5 and a molecular weight of 288.30 g/mol. Its IUPAC name is methyl 2-[(Z)-2-(furan-2-yl)ethenyl]-4,6-dimethoxybenzoate.

Molecular Properties

Compound Namemethyl 2-[(Z)-2-(furan-2-yl)ethenyl]-4,6-dimethoxybenzoate
PubChem CID141364342
Molecular FormulaC16H16O5
Molecular Weight288.30 g/mol
Exact Mass288.10
IUPAC Namemethyl 2-[(Z)-2-(furan-2-yl)ethenyl]-4,6-dimethoxybenzoate
SMILESCOC(=O)c1c(/C=C\c2ccco2)cc(OC)cc1OC
InChIInChI=1S/C16H16O5/c1-18-13-9-11(6-7-12-5-4-8-21-12)15(16(17)20-3)14(10-13)19-2/h4-10H,1-3H3/b7-6-
InChIKeyFMWJQBUMLBDNSH-SREVYHEPSA-N
XLogP3.25
TPSA57.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(E)-2-(furan-2-yl)ethenyl]-4,6-dimethoxypyridine-3-carboxylate
CID 141364415
methyl 2-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-4,6-dimethoxybenzoate
CID 141364395
methyl 2,4-dimethoxy-6-[2-(1H-pyrrol-3-yl)ethenyl]benzoate
CID 174732754
methyl 2-[2-(2,6-dimethoxyphenyl)ethenyl]-6-hydroxy-4-methoxybenzoate
CID 154074888
N-(2,4-dimethoxyphenyl)-3-(furan-2-yl)prop-2-enamide
CID 2921877
methyl 2,4-dimethoxy-6-(piperidin-4-ylidenemethyl)benzoate
CID 162354073
3-(furan-2-yl)-1-(2-hydroxy-4,6-dimethoxyphenyl)prop-2-en-1-one;[2-[3-(furan-2-yl)prop-2-enoyl]-3,5-dimethoxyphenyl] propanoate
CID 70551644
methyl 2-hydroxy-4-methoxy-6-[(E)-2-phenylethenyl]benzoate
CID 71626584
methyl 4-[(E)-3-(furan-2-yl)prop-2-enoyl]oxy-3-methoxybenzoate
CID 8840269
methyl 4-[2-(furan-2-yl)ethenyl]-1-benzothiophene-2-carboxylate
CID 57040065
(E)-N-[(2,4-dimethoxyphenyl)carbamothioyl]-3-(furan-2-yl)prop-2-enamide
CID 885243
methyl 2-[3-(furan-2-yl)prop-2-enoylamino]-5-methoxybenzoate
CID 75269063

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(Z)-2-(furan-2-yl)ethenyl]-4,6-dimethoxybenzoate?
The IUPAC name of methyl 2-[(Z)-2-(furan-2-yl)ethenyl]-4,6-dimethoxybenzoate (CID 141364342) is methyl 2-[(Z)-2-(furan-2-yl)ethenyl]-4,6-dimethoxybenzoate.
What is the SMILES notation for methyl 2-[(Z)-2-(furan-2-yl)ethenyl]-4,6-dimethoxybenzoate?
The canonical SMILES for methyl 2-[(Z)-2-(furan-2-yl)ethenyl]-4,6-dimethoxybenzoate is COC(=O)c1c(/C=C\c2ccco2)cc(OC)cc1OC.
What is the InChIKey of methyl 2-[(Z)-2-(furan-2-yl)ethenyl]-4,6-dimethoxybenzoate?
The InChIKey is FMWJQBUMLBDNSH-SREVYHEPSA-N. The full InChI is InChI=1S/C16H16O5/c1-18-13-9-11(6-7-12-5-4-8-21-12)15(16(17)20-3)14(10-13)19-2/h4-10H,1-3H3/b7-6-.
What are the key properties of methyl 2-[(Z)-2-(furan-2-yl)ethenyl]-4,6-dimethoxybenzoate?
methyl 2-[(Z)-2-(furan-2-yl)ethenyl]-4,6-dimethoxybenzoate has a molecular weight of 288.30 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(Z)-2-(furan-2-yl)ethenyl]-4,6-dimethoxybenzoate is sourced from PubChem (CID 141364342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).