methyl 5-[2-(2,6-dimethoxyphenyl)ethyl]-2-hydroxybenzoate

C18H20O5 — CID 44587329

IUPACmethyl 5-[2-(2,6-dimethoxyphenyl)ethyl]-2-hydroxybenzoate
SMILESCOC(=O)c1cc(CCc2c(OC)cccc2OC)ccc1O
InChIInChI=1S/C18H20O5/c1-21-16-5-4-6-17(22-2)13(16)9-7-12-8-10-15(19)14(11-12)18(20)23-3/h4-6,8,10-11,19H,7,9H2,1-3H3
InChIKeyCJANOHUPEDWDJL-UHFFFAOYSA-N
MW316.35 g/mol
LogP2.98
Rot. Bonds6

About methyl 5-[2-(2,6-dimethoxyphenyl)ethyl]-2-hydroxybenzoate

methyl 5-[2-(2,6-dimethoxyphenyl)ethyl]-2-hydroxybenzoate (PubChem CID 44587329) has the molecular formula C18H20O5 and a molecular weight of 316.35 g/mol. Its IUPAC name is methyl 5-[2-(2,6-dimethoxyphenyl)ethyl]-2-hydroxybenzoate.

Molecular Properties

Compound Namemethyl 5-[2-(2,6-dimethoxyphenyl)ethyl]-2-hydroxybenzoate
PubChem CID44587329
Molecular FormulaC18H20O5
Molecular Weight316.35 g/mol
Exact Mass316.13
IUPAC Namemethyl 5-[2-(2,6-dimethoxyphenyl)ethyl]-2-hydroxybenzoate
SMILESCOC(=O)c1cc(CCc2c(OC)cccc2OC)ccc1O
InChIInChI=1S/C18H20O5/c1-21-16-5-4-6-17(22-2)13(16)9-7-12-8-10-15(19)14(11-12)18(20)23-3/h4-6,8,10-11,19H,7,9H2,1-3H3
InChIKeyCJANOHUPEDWDJL-UHFFFAOYSA-N
XLogP2.98
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[2-(2,6-dimethoxyphenyl)ethyl]-2-hydroxybenzoate?
The IUPAC name of methyl 5-[2-(2,6-dimethoxyphenyl)ethyl]-2-hydroxybenzoate (CID 44587329) is methyl 5-[2-(2,6-dimethoxyphenyl)ethyl]-2-hydroxybenzoate.
What is the SMILES notation for methyl 5-[2-(2,6-dimethoxyphenyl)ethyl]-2-hydroxybenzoate?
The canonical SMILES for methyl 5-[2-(2,6-dimethoxyphenyl)ethyl]-2-hydroxybenzoate is COC(=O)c1cc(CCc2c(OC)cccc2OC)ccc1O.
What is the InChIKey of methyl 5-[2-(2,6-dimethoxyphenyl)ethyl]-2-hydroxybenzoate?
The InChIKey is CJANOHUPEDWDJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O5/c1-21-16-5-4-6-17(22-2)13(16)9-7-12-8-10-15(19)14(11-12)18(20)23-3/h4-6,8,10-11,19H,7,9H2,1-3H3.
What are the key properties of methyl 5-[2-(2,6-dimethoxyphenyl)ethyl]-2-hydroxybenzoate?
methyl 5-[2-(2,6-dimethoxyphenyl)ethyl]-2-hydroxybenzoate has a molecular weight of 316.35 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[2-(2,6-dimethoxyphenyl)ethyl]-2-hydroxybenzoate is sourced from PubChem (CID 44587329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).