methyl 2-hydroxy-4-methoxy-6-[2-(6-methoxy-2-pyridinyl)ethenyl]benzoate

C17H17NO5 — CID 154074857

IUPACmethyl 2-hydroxy-4-methoxy-6-[2-(6-methoxy-2-pyridinyl)ethenyl]benzoate
SMILESCOC(=O)c1c(O)cc(OC)cc1C=Cc1cccc(OC)n1
InChIInChI=1S/C17H17NO5/c1-21-13-9-11(16(14(19)10-13)17(20)23-3)7-8-12-5-4-6-15(18-12)22-2/h4-10,19H,1-3H3
InChIKeyNHEGFZMRUXFXEC-UHFFFAOYSA-N
MW315.33 g/mol
LogP2.76
Rot. Bonds5

About methyl 2-hydroxy-4-methoxy-6-[2-(6-methoxy-2-pyridinyl)ethenyl]benzoate

methyl 2-hydroxy-4-methoxy-6-[2-(6-methoxy-2-pyridinyl)ethenyl]benzoate (PubChem CID 154074857) has the molecular formula C17H17NO5 and a molecular weight of 315.33 g/mol. Its IUPAC name is methyl 2-hydroxy-4-methoxy-6-[2-(6-methoxy-2-pyridinyl)ethenyl]benzoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-4-methoxy-6-[2-(6-methoxy-2-pyridinyl)ethenyl]benzoate
PubChem CID154074857
Molecular FormulaC17H17NO5
Molecular Weight315.33 g/mol
Exact Mass315.11
IUPAC Namemethyl 2-hydroxy-4-methoxy-6-[2-(6-methoxy-2-pyridinyl)ethenyl]benzoate
SMILESCOC(=O)c1c(O)cc(OC)cc1C=Cc1cccc(OC)n1
InChIInChI=1S/C17H17NO5/c1-21-13-9-11(16(14(19)10-13)17(20)23-3)7-8-12-5-4-6-15(18-12)22-2/h4-10,19H,1-3H3
InChIKeyNHEGFZMRUXFXEC-UHFFFAOYSA-N
XLogP2.76
TPSA77.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[2-(2,6-dimethoxyphenyl)ethenyl]-6-hydroxy-4-methoxybenzoate
CID 154074888
methyl 2-hydroxy-4-methoxy-6-[(E)-2-phenylethenyl]benzoate
CID 71626584
methyl 2-hydroxy-4-methoxy-6-[2-(3-methylphenyl)ethenyl]benzoate
CID 154074873
methyl 2-hydroxy-4-methoxy-6-[(E)-2-(5-methoxy-1H-pyrrol-3-yl)ethenyl]benzoate
CID 141364318
methyl (E)-3-(6-methoxy-2-pyridinyl)prop-2-enoate
CID 68843294
methyl 2-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-4,6-dimethoxybenzoate
CID 141364395
methyl 2-hydroxy-4-methoxy-6-[(E)-1-phenylprop-1-enyl]benzoate
CID 141326793
2-[(E)-2-(3-fluorophenyl)ethenyl]-6-hydroxy-4-methoxybenzoic acid
CID 122183158
methyl 2-[2-(4-fluorophenyl)ethenyl]-6-hydroxy-4-phenylmethoxybenzoate
CID 175426334
methyl 2-[(E)-2-(4-fluorophenyl)ethenyl]-6-hydroxy-4-phenylmethoxybenzoate
CID 163207609
methyl 2-[(Z)-2-(furan-2-yl)ethenyl]-4,6-dimethoxybenzoate
CID 141364342
(Z)-3-(6-methoxy-2-pyridinyl)-2-methylprop-2-enoic acid
CID 103347787

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-4-methoxy-6-[2-(6-methoxy-2-pyridinyl)ethenyl]benzoate?
The IUPAC name of methyl 2-hydroxy-4-methoxy-6-[2-(6-methoxy-2-pyridinyl)ethenyl]benzoate (CID 154074857) is methyl 2-hydroxy-4-methoxy-6-[2-(6-methoxy-2-pyridinyl)ethenyl]benzoate.
What is the SMILES notation for methyl 2-hydroxy-4-methoxy-6-[2-(6-methoxy-2-pyridinyl)ethenyl]benzoate?
The canonical SMILES for methyl 2-hydroxy-4-methoxy-6-[2-(6-methoxy-2-pyridinyl)ethenyl]benzoate is COC(=O)c1c(O)cc(OC)cc1C=Cc1cccc(OC)n1.
What is the InChIKey of methyl 2-hydroxy-4-methoxy-6-[2-(6-methoxy-2-pyridinyl)ethenyl]benzoate?
The InChIKey is NHEGFZMRUXFXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO5/c1-21-13-9-11(16(14(19)10-13)17(20)23-3)7-8-12-5-4-6-15(18-12)22-2/h4-10,19H,1-3H3.
What are the key properties of methyl 2-hydroxy-4-methoxy-6-[2-(6-methoxy-2-pyridinyl)ethenyl]benzoate?
methyl 2-hydroxy-4-methoxy-6-[2-(6-methoxy-2-pyridinyl)ethenyl]benzoate has a molecular weight of 315.33 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-4-methoxy-6-[2-(6-methoxy-2-pyridinyl)ethenyl]benzoate is sourced from PubChem (CID 154074857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).