methyl 2,4-dimethoxy-6-[2-(1H-pyrrol-3-yl)ethenyl]benzoate

C16H17NO4 — CID 174732754

IUPACmethyl 2,4-dimethoxy-6-[2-(1H-pyrrol-3-yl)ethenyl]benzoate
SMILESCOC(=O)c1c(C=Cc2cc[nH]c2)cc(OC)cc1OC
InChIInChI=1S/C16H17NO4/c1-19-13-8-12(5-4-11-6-7-17-10-11)15(16(18)21-3)14(9-13)20-2/h4-10,17H,1-3H3
InChIKeySFJWMPWWUDVADF-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.99
Rot. Bonds5

About methyl 2,4-dimethoxy-6-[2-(1H-pyrrol-3-yl)ethenyl]benzoate

methyl 2,4-dimethoxy-6-[2-(1H-pyrrol-3-yl)ethenyl]benzoate (PubChem CID 174732754) has the molecular formula C16H17NO4 and a molecular weight of 287.32 g/mol. Its IUPAC name is methyl 2,4-dimethoxy-6-[2-(1H-pyrrol-3-yl)ethenyl]benzoate.

Molecular Properties

Compound Namemethyl 2,4-dimethoxy-6-[2-(1H-pyrrol-3-yl)ethenyl]benzoate
PubChem CID174732754
Molecular FormulaC16H17NO4
Molecular Weight287.32 g/mol
Exact Mass287.12
IUPAC Namemethyl 2,4-dimethoxy-6-[2-(1H-pyrrol-3-yl)ethenyl]benzoate
SMILESCOC(=O)c1c(C=Cc2cc[nH]c2)cc(OC)cc1OC
InChIInChI=1S/C16H17NO4/c1-19-13-8-12(5-4-11-6-7-17-10-11)15(16(18)21-3)14(9-13)20-2/h4-10,17H,1-3H3
InChIKeySFJWMPWWUDVADF-UHFFFAOYSA-N
XLogP2.99
TPSA60.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-4,6-dimethoxybenzoate
CID 141364395
methyl 2-[(Z)-2-(furan-2-yl)ethenyl]-4,6-dimethoxybenzoate
CID 141364342
methyl 2,4-dimethoxy-6-(piperidin-4-ylidenemethyl)benzoate
CID 162354073
methyl 2-hydroxy-4-methoxy-6-[(E)-2-phenylethenyl]benzoate
CID 71626584
methyl 2-hydroxy-4-methoxy-6-[(E)-2-(5-methoxy-1H-pyrrol-3-yl)ethenyl]benzoate
CID 141364318
(2,4-dimethoxyphenyl)-[2-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-4,6-dimethoxyphenyl]methanone
CID 89202436
methyl 2-[2-(2,6-dimethoxyphenyl)ethenyl]-6-hydroxy-4-methoxybenzoate
CID 154074888
3-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-pyrrole
CID 67879730
methyl 2-hydroxy-4-methoxy-6-[2-(3-methylphenyl)ethenyl]benzoate
CID 154074873
methyl 2,4-dimethoxy-6-[(E)-2-[1-(4-methoxybenzoyl)piperidin-4-yl]ethenyl]benzoate
CID 162354051
methyl 2,4-dimethoxy-6-[(E)-1-phenylprop-1-enyl]benzoate
CID 141326808
1H-pyrrol-3-yl-[4-(2,4,6-trimethoxybenzoyl)piperazin-1-yl]methanone
CID 110815460

Frequently Asked Questions

What is the IUPAC name of methyl 2,4-dimethoxy-6-[2-(1H-pyrrol-3-yl)ethenyl]benzoate?
The IUPAC name of methyl 2,4-dimethoxy-6-[2-(1H-pyrrol-3-yl)ethenyl]benzoate (CID 174732754) is methyl 2,4-dimethoxy-6-[2-(1H-pyrrol-3-yl)ethenyl]benzoate.
What is the SMILES notation for methyl 2,4-dimethoxy-6-[2-(1H-pyrrol-3-yl)ethenyl]benzoate?
The canonical SMILES for methyl 2,4-dimethoxy-6-[2-(1H-pyrrol-3-yl)ethenyl]benzoate is COC(=O)c1c(C=Cc2cc[nH]c2)cc(OC)cc1OC.
What is the InChIKey of methyl 2,4-dimethoxy-6-[2-(1H-pyrrol-3-yl)ethenyl]benzoate?
The InChIKey is SFJWMPWWUDVADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-19-13-8-12(5-4-11-6-7-17-10-11)15(16(18)21-3)14(9-13)20-2/h4-10,17H,1-3H3.
What are the key properties of methyl 2,4-dimethoxy-6-[2-(1H-pyrrol-3-yl)ethenyl]benzoate?
methyl 2,4-dimethoxy-6-[2-(1H-pyrrol-3-yl)ethenyl]benzoate has a molecular weight of 287.32 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,4-dimethoxy-6-[2-(1H-pyrrol-3-yl)ethenyl]benzoate is sourced from PubChem (CID 174732754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).