(5-acetyl-2-methoxyphenyl)methyl 2-hydroxy-5-methoxybenzoate

C18H18O6 — CID 7429918

IUPAC(5-acetyl-2-methoxyphenyl)methyl 2-hydroxy-5-methoxybenzoate
SMILESCOc1ccc(O)c(C(=O)OCc2cc(C(C)=O)ccc2OC)c1
InChIInChI=1S/C18H18O6/c1-11(19)12-4-7-17(23-3)13(8-12)10-24-18(21)15-9-14(22-2)5-6-16(15)20/h4-9,20H,10H2,1-3H3
InChIKeyIQWFOSCXFWCZCN-UHFFFAOYSA-N
MW330.34 g/mol
LogP2.97
Rot. Bonds6

About (5-acetyl-2-methoxyphenyl)methyl 2-hydroxy-5-methoxybenzoate

(5-acetyl-2-methoxyphenyl)methyl 2-hydroxy-5-methoxybenzoate (PubChem CID 7429918) has the molecular formula C18H18O6 and a molecular weight of 330.34 g/mol. Its IUPAC name is (5-acetyl-2-methoxyphenyl)methyl 2-hydroxy-5-methoxybenzoate.

Molecular Properties

Compound Name(5-acetyl-2-methoxyphenyl)methyl 2-hydroxy-5-methoxybenzoate
PubChem CID7429918
Molecular FormulaC18H18O6
Molecular Weight330.34 g/mol
Exact Mass330.11
IUPAC Name(5-acetyl-2-methoxyphenyl)methyl 2-hydroxy-5-methoxybenzoate
SMILESCOc1ccc(O)c(C(=O)OCc2cc(C(C)=O)ccc2OC)c1
InChIInChI=1S/C18H18O6/c1-11(19)12-4-7-17(23-3)13(8-12)10-24-18(21)15-9-14(22-2)5-6-16(15)20/h4-9,20H,10H2,1-3H3
InChIKeyIQWFOSCXFWCZCN-UHFFFAOYSA-N
XLogP2.97
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(5-acetyl-2-methoxyphenyl)methyl 5-chloro-2-hydroxybenzoate
CID 2602816
methyl 2-[(5-acetyl-2-methoxyphenyl)methoxy]-4-methoxybenzoate
CID 7705078
(5-acetyl-2-methoxyphenyl)methyl 4-(2-amino-2-oxoethoxy)benzoate
CID 8678507
(5-acetyl-2-methoxyphenyl)methyl 2,3-dimethylbenzoate
CID 2425031
(5-acetyl-2-methoxyphenyl)methyl pyridine-4-carboxylate
CID 2626045
(5-acetyl-2-methoxyphenyl)methyl 2,3,4,5,6-pentamethylbenzoate
CID 7235428
(5-acetyl-2-methoxyphenyl)methyl 2,3-dichlorobenzoate
CID 2693177
(5-acetyl-2-methoxyphenyl)methyl 3-(3-methoxyphenyl)prop-2-enoate
CID 71954010
(2,5-dimethoxyphenyl)methyl 2-methylfuran-3-carboxylate
CID 78815298
(5-acetyl-2-methoxyphenyl)methyl (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 6087705
(5-acetyl-2-methoxyphenyl)methyl 2-(2-cyanophenyl)benzoate
CID 8701894
(5-acetyl-2-methoxyphenyl)methyl 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 9135231

Frequently Asked Questions

What is the IUPAC name of (5-acetyl-2-methoxyphenyl)methyl 2-hydroxy-5-methoxybenzoate?
The IUPAC name of (5-acetyl-2-methoxyphenyl)methyl 2-hydroxy-5-methoxybenzoate (CID 7429918) is (5-acetyl-2-methoxyphenyl)methyl 2-hydroxy-5-methoxybenzoate.
What is the SMILES notation for (5-acetyl-2-methoxyphenyl)methyl 2-hydroxy-5-methoxybenzoate?
The canonical SMILES for (5-acetyl-2-methoxyphenyl)methyl 2-hydroxy-5-methoxybenzoate is COc1ccc(O)c(C(=O)OCc2cc(C(C)=O)ccc2OC)c1.
What is the InChIKey of (5-acetyl-2-methoxyphenyl)methyl 2-hydroxy-5-methoxybenzoate?
The InChIKey is IQWFOSCXFWCZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O6/c1-11(19)12-4-7-17(23-3)13(8-12)10-24-18(21)15-9-14(22-2)5-6-16(15)20/h4-9,20H,10H2,1-3H3.
What are the key properties of (5-acetyl-2-methoxyphenyl)methyl 2-hydroxy-5-methoxybenzoate?
(5-acetyl-2-methoxyphenyl)methyl 2-hydroxy-5-methoxybenzoate has a molecular weight of 330.34 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-acetyl-2-methoxyphenyl)methyl 2-hydroxy-5-methoxybenzoate is sourced from PubChem (CID 7429918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).