methyl 5-[(5-chloro-2-hydroxybenzoyl)oxymethyl]furan-2-carboxylate

C14H11ClO6 — CID 2602831

IUPACmethyl 5-[(5-chloro-2-hydroxybenzoyl)oxymethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(COC(=O)c2cc(Cl)ccc2O)o1
InChIInChI=1S/C14H11ClO6/c1-19-14(18)12-5-3-9(21-12)7-20-13(17)10-6-8(15)2-4-11(10)16/h2-6,16H,7H2,1H3
InChIKeyYRQYQMFQYVWYHI-UHFFFAOYSA-N
MW310.69 g/mol
LogP2.78
Rot. Bonds4

About methyl 5-[(5-chloro-2-hydroxybenzoyl)oxymethyl]furan-2-carboxylate

methyl 5-[(5-chloro-2-hydroxybenzoyl)oxymethyl]furan-2-carboxylate (PubChem CID 2602831) has the molecular formula C14H11ClO6 and a molecular weight of 310.69 g/mol. Its IUPAC name is methyl 5-[(5-chloro-2-hydroxybenzoyl)oxymethyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(5-chloro-2-hydroxybenzoyl)oxymethyl]furan-2-carboxylate
PubChem CID2602831
Molecular FormulaC14H11ClO6
Molecular Weight310.69 g/mol
Exact Mass310.02
IUPAC Namemethyl 5-[(5-chloro-2-hydroxybenzoyl)oxymethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(COC(=O)c2cc(Cl)ccc2O)o1
InChIInChI=1S/C14H11ClO6/c1-19-14(18)12-5-3-9(21-12)7-20-13(17)10-6-8(15)2-4-11(10)16/h2-6,16H,7H2,1H3
InChIKeyYRQYQMFQYVWYHI-UHFFFAOYSA-N
XLogP2.78
TPSA85.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.69
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 5-[(5-chloro-2-hydroxybenzoyl)oxymethyl]furan-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-methoxycarbonylfuran-2-yl)methyl 1-(5-chloro-2-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxylate
CID 7175370
methyl 5-[(2,5-dichlorophenoxy)methyl]furan-2-carboxylate
CID 950139
methyl 5-[(3,5-dichloro-4-methoxybenzoyl)oxymethyl]furan-2-carboxylate
CID 9125878
(4-bromophenyl)methyl 5-chloro-2-hydroxybenzoate
CID 883580
methyl 5-[[2-[[2-[(2,4-dichlorobenzoyl)amino]acetyl]amino]acetyl]oxymethyl]furan-2-carboxylate
CID 29390529
methyl 5-[(3,5-dimethoxybenzoyl)oxymethyl]furan-2-carboxylate
CID 2516450
methyl 5-[(2,3,4-trimethoxybenzoyl)oxymethyl]furan-2-carboxylate
CID 2522067
methyl 5-[[2-(2-cyanophenyl)benzoyl]oxymethyl]furan-2-carboxylate
CID 8702041
(5-methoxycarbonylfuran-2-yl)methyl 2-oxochromene-3-carboxylate
CID 8707757
dimethyl 5-amino-3-[(5-chloro-2-hydroxybenzoyl)oxymethyl]thiophene-2,4-dicarboxylate
CID 8604133
methyl 5-[(4,5-dimethoxy-2-nitrobenzoyl)oxymethyl]furan-2-carboxylate
CID 2530772
bis[(5-methoxycarbonylfuran-2-yl)methyl] pyridine-2,6-dicarboxylate
CID 2627632

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(5-chloro-2-hydroxybenzoyl)oxymethyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[(5-chloro-2-hydroxybenzoyl)oxymethyl]furan-2-carboxylate (CID 2602831) is methyl 5-[(5-chloro-2-hydroxybenzoyl)oxymethyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[(5-chloro-2-hydroxybenzoyl)oxymethyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[(5-chloro-2-hydroxybenzoyl)oxymethyl]furan-2-carboxylate is COC(=O)c1ccc(COC(=O)c2cc(Cl)ccc2O)o1.
What is the InChIKey of methyl 5-[(5-chloro-2-hydroxybenzoyl)oxymethyl]furan-2-carboxylate?
The InChIKey is YRQYQMFQYVWYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClO6/c1-19-14(18)12-5-3-9(21-12)7-20-13(17)10-6-8(15)2-4-11(10)16/h2-6,16H,7H2,1H3.
What are the key properties of methyl 5-[(5-chloro-2-hydroxybenzoyl)oxymethyl]furan-2-carboxylate?
methyl 5-[(5-chloro-2-hydroxybenzoyl)oxymethyl]furan-2-carboxylate has a molecular weight of 310.69 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(5-chloro-2-hydroxybenzoyl)oxymethyl]furan-2-carboxylate is sourced from PubChem (CID 2602831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).