methyl 2-[2-(2,6-dimethoxyphenyl)ethenyl]-6-hydroxy-4-methoxybenzoate

C19H20O6 — CID 154074888

IUPACmethyl 2-[2-(2,6-dimethoxyphenyl)ethenyl]-6-hydroxy-4-methoxybenzoate
SMILESCOC(=O)c1c(O)cc(OC)cc1C=Cc1c(OC)cccc1OC
InChIInChI=1S/C19H20O6/c1-22-13-10-12(18(15(20)11-13)19(21)25-4)8-9-14-16(23-2)6-5-7-17(14)24-3/h5-11,20H,1-4H3
InChIKeyTXLTVVWGKCHHFF-UHFFFAOYSA-N
MW344.36 g/mol
LogP3.38
Rot. Bonds6

About methyl 2-[2-(2,6-dimethoxyphenyl)ethenyl]-6-hydroxy-4-methoxybenzoate

methyl 2-[2-(2,6-dimethoxyphenyl)ethenyl]-6-hydroxy-4-methoxybenzoate (PubChem CID 154074888) has the molecular formula C19H20O6 and a molecular weight of 344.36 g/mol. Its IUPAC name is methyl 2-[2-(2,6-dimethoxyphenyl)ethenyl]-6-hydroxy-4-methoxybenzoate.

Molecular Properties

Compound Namemethyl 2-[2-(2,6-dimethoxyphenyl)ethenyl]-6-hydroxy-4-methoxybenzoate
PubChem CID154074888
Molecular FormulaC19H20O6
Molecular Weight344.36 g/mol
Exact Mass344.13
IUPAC Namemethyl 2-[2-(2,6-dimethoxyphenyl)ethenyl]-6-hydroxy-4-methoxybenzoate
SMILESCOC(=O)c1c(O)cc(OC)cc1C=Cc1c(OC)cccc1OC
InChIInChI=1S/C19H20O6/c1-22-13-10-12(18(15(20)11-13)19(21)25-4)8-9-14-16(23-2)6-5-7-17(14)24-3/h5-11,20H,1-4H3
InChIKeyTXLTVVWGKCHHFF-UHFFFAOYSA-N
XLogP3.38
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

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-[2-(6-methoxy-2-pyridinyl)ethenyl]benzoate
CID 154074857
methyl 2-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-4,6-dimethoxybenzoate
CID 141364395
methyl 2-hydroxy-4-methoxy-6-[(E)-2-(5-methoxy-1H-pyrrol-3-yl)ethenyl]benzoate
CID 141364318
methyl 2-[(Z)-2-(furan-2-yl)ethenyl]-4,6-dimethoxybenzoate
CID 141364342
(E)-3-(2,6-dimethoxyphenyl)-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
CID 16754161
methyl 2-[(E)-2-(4-fluorophenyl)ethenyl]-6-hydroxy-4-phenylmethoxybenzoate
CID 163207609
methyl 2-[2-(4-fluorophenyl)ethenyl]-6-hydroxy-4-phenylmethoxybenzoate
CID 175426334
4-[(E)-2-[2,6-bis(trideuteriomethoxy)phenyl]ethenyl]-3-methoxyphenol
CID 169439024
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

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(2,6-dimethoxyphenyl)ethenyl]-6-hydroxy-4-methoxybenzoate?
The IUPAC name of methyl 2-[2-(2,6-dimethoxyphenyl)ethenyl]-6-hydroxy-4-methoxybenzoate (CID 154074888) is methyl 2-[2-(2,6-dimethoxyphenyl)ethenyl]-6-hydroxy-4-methoxybenzoate.
What is the SMILES notation for methyl 2-[2-(2,6-dimethoxyphenyl)ethenyl]-6-hydroxy-4-methoxybenzoate?
The canonical SMILES for methyl 2-[2-(2,6-dimethoxyphenyl)ethenyl]-6-hydroxy-4-methoxybenzoate is COC(=O)c1c(O)cc(OC)cc1C=Cc1c(OC)cccc1OC.
What is the InChIKey of methyl 2-[2-(2,6-dimethoxyphenyl)ethenyl]-6-hydroxy-4-methoxybenzoate?
The InChIKey is TXLTVVWGKCHHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O6/c1-22-13-10-12(18(15(20)11-13)19(21)25-4)8-9-14-16(23-2)6-5-7-17(14)24-3/h5-11,20H,1-4H3.
What are the key properties of methyl 2-[2-(2,6-dimethoxyphenyl)ethenyl]-6-hydroxy-4-methoxybenzoate?
methyl 2-[2-(2,6-dimethoxyphenyl)ethenyl]-6-hydroxy-4-methoxybenzoate has a molecular weight of 344.36 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(2,6-dimethoxyphenyl)ethenyl]-6-hydroxy-4-methoxybenzoate is sourced from PubChem (CID 154074888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).