methyl 2-hydroxy-4-methoxy-6-[2-(3-methylphenyl)ethenyl]benzoate

C18H18O4 — CID 154074873

IUPACmethyl 2-hydroxy-4-methoxy-6-[2-(3-methylphenyl)ethenyl]benzoate
SMILESCOC(=O)c1c(O)cc(OC)cc1C=Cc1cccc(C)c1
InChIInChI=1S/C18H18O4/c1-12-5-4-6-13(9-12)7-8-14-10-15(21-2)11-16(19)17(14)18(20)22-3/h4-11,19H,1-3H3
InChIKeyOJJDMJBKANLXEX-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.67
Rot. Bonds4

About methyl 2-hydroxy-4-methoxy-6-[2-(3-methylphenyl)ethenyl]benzoate

methyl 2-hydroxy-4-methoxy-6-[2-(3-methylphenyl)ethenyl]benzoate (PubChem CID 154074873) has the molecular formula C18H18O4 and a molecular weight of 298.34 g/mol. Its IUPAC name is methyl 2-hydroxy-4-methoxy-6-[2-(3-methylphenyl)ethenyl]benzoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-4-methoxy-6-[2-(3-methylphenyl)ethenyl]benzoate
PubChem CID154074873
Molecular FormulaC18H18O4
Molecular Weight298.34 g/mol
Exact Mass298.12
IUPAC Namemethyl 2-hydroxy-4-methoxy-6-[2-(3-methylphenyl)ethenyl]benzoate
SMILESCOC(=O)c1c(O)cc(OC)cc1C=Cc1cccc(C)c1
InChIInChI=1S/C18H18O4/c1-12-5-4-6-13(9-12)7-8-14-10-15(21-2)11-16(19)17(14)18(20)22-3/h4-11,19H,1-3H3
InChIKeyOJJDMJBKANLXEX-UHFFFAOYSA-N
XLogP3.67
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[2-(2,6-dimethoxyphenyl)ethenyl]-6-hydroxy-4-methoxybenzoate
CID 154074888
methyl 2-hydroxy-4-methoxy-6-[2-(6-methoxy-2-pyridinyl)ethenyl]benzoate
CID 154074857
2-[(E)-2-(3-fluorophenyl)ethenyl]-6-hydroxy-4-methoxybenzoic acid
CID 122183158
methyl 2-hydroxy-4-methoxy-6-[(E)-2-(5-methoxy-1H-pyrrol-3-yl)ethenyl]benzoate
CID 141364318
methyl 2-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-4,6-dimethoxybenzoate
CID 141364395
1-(2,6-dihydroxy-4-methoxyphenyl)-3-(3-methoxyphenyl)prop-2-en-1-one
CID 135304981
methyl 4-methoxy-2-[(E)-2-(3-methoxyphenyl)ethenyl]benzoate
CID 139796545
3-[(Z)-2-(3-hydroxyphenyl)ethenyl]phenol;3-[(E)-2-(3-methylphenyl)ethenyl]phenol
CID 159541553
methyl 2-hydroxy-4-methoxy-6-[(E)-1-phenylprop-1-enyl]benzoate
CID 141326793
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

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-4-methoxy-6-[2-(3-methylphenyl)ethenyl]benzoate?
The IUPAC name of methyl 2-hydroxy-4-methoxy-6-[2-(3-methylphenyl)ethenyl]benzoate (CID 154074873) is methyl 2-hydroxy-4-methoxy-6-[2-(3-methylphenyl)ethenyl]benzoate.
What is the SMILES notation for methyl 2-hydroxy-4-methoxy-6-[2-(3-methylphenyl)ethenyl]benzoate?
The canonical SMILES for methyl 2-hydroxy-4-methoxy-6-[2-(3-methylphenyl)ethenyl]benzoate is COC(=O)c1c(O)cc(OC)cc1C=Cc1cccc(C)c1.
What is the InChIKey of methyl 2-hydroxy-4-methoxy-6-[2-(3-methylphenyl)ethenyl]benzoate?
The InChIKey is OJJDMJBKANLXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O4/c1-12-5-4-6-13(9-12)7-8-14-10-15(21-2)11-16(19)17(14)18(20)22-3/h4-11,19H,1-3H3.
What are the key properties of methyl 2-hydroxy-4-methoxy-6-[2-(3-methylphenyl)ethenyl]benzoate?
methyl 2-hydroxy-4-methoxy-6-[2-(3-methylphenyl)ethenyl]benzoate has a molecular weight of 298.34 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-4-methoxy-6-[2-(3-methylphenyl)ethenyl]benzoate is sourced from PubChem (CID 154074873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).