(5-acetyl-2-methoxyphenyl)methyl 5-chloro-2-hydroxybenzoate

C17H15ClO5 — CID 2602816

IUPAC(5-acetyl-2-methoxyphenyl)methyl 5-chloro-2-hydroxybenzoate
SMILESCOc1ccc(C(C)=O)cc1COC(=O)c1cc(Cl)ccc1O
InChIInChI=1S/C17H15ClO5/c1-10(19)11-3-6-16(22-2)12(7-11)9-23-17(21)14-8-13(18)4-5-15(14)20/h3-8,20H,9H2,1-2H3
InChIKeyICJSDTHSBWMRBG-UHFFFAOYSA-N
MW334.76 g/mol
LogP3.61
Rot. Bonds5

About (5-acetyl-2-methoxyphenyl)methyl 5-chloro-2-hydroxybenzoate

(5-acetyl-2-methoxyphenyl)methyl 5-chloro-2-hydroxybenzoate (PubChem CID 2602816) has the molecular formula C17H15ClO5 and a molecular weight of 334.76 g/mol. Its IUPAC name is (5-acetyl-2-methoxyphenyl)methyl 5-chloro-2-hydroxybenzoate.

Molecular Properties

Compound Name(5-acetyl-2-methoxyphenyl)methyl 5-chloro-2-hydroxybenzoate
PubChem CID2602816
Molecular FormulaC17H15ClO5
Molecular Weight334.76 g/mol
Exact Mass334.06
IUPAC Name(5-acetyl-2-methoxyphenyl)methyl 5-chloro-2-hydroxybenzoate
SMILESCOc1ccc(C(C)=O)cc1COC(=O)c1cc(Cl)ccc1O
InChIInChI=1S/C17H15ClO5/c1-10(19)11-3-6-16(22-2)12(7-11)9-23-17(21)14-8-13(18)4-5-15(14)20/h3-8,20H,9H2,1-2H3
InChIKeyICJSDTHSBWMRBG-UHFFFAOYSA-N
XLogP3.61
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.76
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-acetyl-2-methoxyphenyl)methyl 2-hydroxy-5-methoxybenzoate
CID 7429918
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CID 2693177
(5-acetyl-2-methoxyphenyl)methyl 2-(4-chloro-2-methylphenoxy)acetate
CID 7779381
(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 (2S)-2-(2,4-dichlorophenoxy)propanoate
CID 7862373
(5-acetyl-2-methoxyphenyl)methyl 2-(2-cyanophenyl)benzoate
CID 8701894
(5-bromo-2-methoxyphenyl)methyl 2-amino-5-chlorobenzoate
CID 63450456
(2-methoxy-5-methylphenyl)methyl 2-amino-5-chlorobenzoate
CID 63450676
(5-acetyl-2-methoxyphenyl)methyl 5-(dimethylsulfamoyl)-2-fluorobenzoate
CID 7976209
(5-acetyl-2-methoxyphenyl)methyl 3-chloro-4-ethoxy-5-methoxybenzoate
CID 7253721

Frequently Asked Questions

What is the IUPAC name of (5-acetyl-2-methoxyphenyl)methyl 5-chloro-2-hydroxybenzoate?
The IUPAC name of (5-acetyl-2-methoxyphenyl)methyl 5-chloro-2-hydroxybenzoate (CID 2602816) is (5-acetyl-2-methoxyphenyl)methyl 5-chloro-2-hydroxybenzoate.
What is the SMILES notation for (5-acetyl-2-methoxyphenyl)methyl 5-chloro-2-hydroxybenzoate?
The canonical SMILES for (5-acetyl-2-methoxyphenyl)methyl 5-chloro-2-hydroxybenzoate is COc1ccc(C(C)=O)cc1COC(=O)c1cc(Cl)ccc1O.
What is the InChIKey of (5-acetyl-2-methoxyphenyl)methyl 5-chloro-2-hydroxybenzoate?
The InChIKey is ICJSDTHSBWMRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClO5/c1-10(19)11-3-6-16(22-2)12(7-11)9-23-17(21)14-8-13(18)4-5-15(14)20/h3-8,20H,9H2,1-2H3.
What are the key properties of (5-acetyl-2-methoxyphenyl)methyl 5-chloro-2-hydroxybenzoate?
(5-acetyl-2-methoxyphenyl)methyl 5-chloro-2-hydroxybenzoate has a molecular weight of 334.76 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-acetyl-2-methoxyphenyl)methyl 5-chloro-2-hydroxybenzoate is sourced from PubChem (CID 2602816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).