methyl 5-[2-(2-acetyl-5-methoxyphenyl)ethyl]-2-hydroxybenzoate

C19H20O5 — CID 25022723

IUPACmethyl 5-[2-(2-acetyl-5-methoxyphenyl)ethyl]-2-hydroxybenzoate
SMILESCOC(=O)c1cc(CCc2cc(OC)ccc2C(C)=O)ccc1O
InChIInChI=1S/C19H20O5/c1-12(20)16-8-7-15(23-2)11-14(16)6-4-13-5-9-18(21)17(10-13)19(22)24-3/h5,7-11,21H,4,6H2,1-3H3
InChIKeyQQYRDTUMZQXVRA-UHFFFAOYSA-N
MW328.36 g/mol
LogP3.18
Rot. Bonds6

About methyl 5-[2-(2-acetyl-5-methoxyphenyl)ethyl]-2-hydroxybenzoate

methyl 5-[2-(2-acetyl-5-methoxyphenyl)ethyl]-2-hydroxybenzoate (PubChem CID 25022723) has the molecular formula C19H20O5 and a molecular weight of 328.36 g/mol. Its IUPAC name is methyl 5-[2-(2-acetyl-5-methoxyphenyl)ethyl]-2-hydroxybenzoate.

Molecular Properties

Compound Namemethyl 5-[2-(2-acetyl-5-methoxyphenyl)ethyl]-2-hydroxybenzoate
PubChem CID25022723
Molecular FormulaC19H20O5
Molecular Weight328.36 g/mol
Exact Mass328.13
IUPAC Namemethyl 5-[2-(2-acetyl-5-methoxyphenyl)ethyl]-2-hydroxybenzoate
SMILESCOC(=O)c1cc(CCc2cc(OC)ccc2C(C)=O)ccc1O
InChIInChI=1S/C19H20O5/c1-12(20)16-8-7-15(23-2)11-14(16)6-4-13-5-9-18(21)17(10-13)19(22)24-3/h5,7-11,21H,4,6H2,1-3H3
InChIKeyQQYRDTUMZQXVRA-UHFFFAOYSA-N
XLogP3.18
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-butyl-4-methoxyphenyl)ethanone
CID 67001427
methyl 2-(2-acetyl-5-methoxyphenyl)acetate
CID 10632802
ethane;1-[2-hydroxy-5-[(4-methoxyphenyl)methyl]phenyl]ethanone
CID 91044178
methyl 5-dodecyl-2-hydroxybenzoate
CID 11834197
methyl 5-hexyl-2-hydroxybenzoate
CID 13329493
methyl 2,3-dihydroxy-6-[2-(4-methoxyphenyl)ethyl]benzoate
CID 100964020
methyl 2-benzyl-4-methoxybenzoate
CID 166447478
N-(4-ethylphenyl)-2-hydroxy-5-methoxybenzamide
CID 60716192
ethane;1-[2-hydroxy-5-[(4-methoxyphenyl)methyl]phenyl]ethanone;1-[2-methoxy-5-[(4-methoxyphenyl)methyl]phenyl]ethanone
CID 160861227
propan-2-yl 2-hydroxy-5-methoxybenzoate
CID 60731005
potassium trifluoro-[(5-methoxy-2-methoxycarbonylphenyl)methyl]boranuide
CID 171374135
methyl 3,4-dihydroxy-6-[2-(4-methoxyphenyl)ethyl]-2-methylbenzoate
CID 175431857

Frequently Asked Questions

What is the IUPAC name of methyl 5-[2-(2-acetyl-5-methoxyphenyl)ethyl]-2-hydroxybenzoate?
The IUPAC name of methyl 5-[2-(2-acetyl-5-methoxyphenyl)ethyl]-2-hydroxybenzoate (CID 25022723) is methyl 5-[2-(2-acetyl-5-methoxyphenyl)ethyl]-2-hydroxybenzoate.
What is the SMILES notation for methyl 5-[2-(2-acetyl-5-methoxyphenyl)ethyl]-2-hydroxybenzoate?
The canonical SMILES for methyl 5-[2-(2-acetyl-5-methoxyphenyl)ethyl]-2-hydroxybenzoate is COC(=O)c1cc(CCc2cc(OC)ccc2C(C)=O)ccc1O.
What is the InChIKey of methyl 5-[2-(2-acetyl-5-methoxyphenyl)ethyl]-2-hydroxybenzoate?
The InChIKey is QQYRDTUMZQXVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O5/c1-12(20)16-8-7-15(23-2)11-14(16)6-4-13-5-9-18(21)17(10-13)19(22)24-3/h5,7-11,21H,4,6H2,1-3H3.
What are the key properties of methyl 5-[2-(2-acetyl-5-methoxyphenyl)ethyl]-2-hydroxybenzoate?
methyl 5-[2-(2-acetyl-5-methoxyphenyl)ethyl]-2-hydroxybenzoate has a molecular weight of 328.36 g/mol, XLogP of 3.18, 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-acetyl-5-methoxyphenyl)ethyl]-2-hydroxybenzoate is sourced from PubChem (CID 25022723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).