methyl 4-benzoyloxy-3-chlorobenzoate

C15H11ClO4 — CID 47098649

IUPACmethyl 4-benzoyloxy-3-chlorobenzoate
SMILESCOC(=O)c1ccc(OC(=O)c2ccccc2)c(Cl)c1
InChIInChI=1S/C15H11ClO4/c1-19-14(17)11-7-8-13(12(16)9-11)20-15(18)10-5-3-2-4-6-10/h2-9H,1H3
InChIKeyMPNRZNQPOTYKHV-UHFFFAOYSA-N
MW290.70 g/mol
LogP3.35
Rot. Bonds3

About methyl 4-benzoyloxy-3-chlorobenzoate

methyl 4-benzoyloxy-3-chlorobenzoate (PubChem CID 47098649) has the molecular formula C15H11ClO4 and a molecular weight of 290.70 g/mol. Its IUPAC name is methyl 4-benzoyloxy-3-chlorobenzoate.

Molecular Properties

Compound Namemethyl 4-benzoyloxy-3-chlorobenzoate
PubChem CID47098649
Molecular FormulaC15H11ClO4
Molecular Weight290.70 g/mol
Exact Mass290.03
IUPAC Namemethyl 4-benzoyloxy-3-chlorobenzoate
SMILESCOC(=O)c1ccc(OC(=O)c2ccccc2)c(Cl)c1
InChIInChI=1S/C15H11ClO4/c1-19-14(17)11-7-8-13(12(16)9-11)20-15(18)10-5-3-2-4-6-10/h2-9H,1H3
InChIKeyMPNRZNQPOTYKHV-UHFFFAOYSA-N
XLogP3.35
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.70
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(2-chloro-4-prop-2-enoylphenyl) benzoate
CID 58732628
(4-methoxyphenyl) 3-chloro-4-(4-methoxybenzoyl)oxybenzoate
CID 118425827
(2-chlorophenyl) 3,4-dimethoxybenzoate
CID 19181520
CID 157228504
CID 157228504
methyl benzoate;hydrate
CID 141218240
[3-chloro-4-(4-methoxybenzoyl)oxyphenyl] 4-methoxybenzoate
CID 90331687
(2,4-dichlorophenyl) 3-chlorobenzoate
CID 23011226
methanamine;methyl 3-chloro-4-ethoxybenzoate
CID 23512246
[4-(benzylsulfanylmethyl)-2-chlorophenyl] benzoate
CID 139769545
methyl 4-[4-(3,4-dichlorobenzoyl)benzoyl]benzoate
CID 10409472
ethane;methoxymethane;methyl benzoate
CID 90999424
[3-chloro-4-(3,4-dimethoxybenzoyl)oxyphenyl] 3,4-dimethoxybenzoate
CID 994063

Frequently Asked Questions

What is the IUPAC name of methyl 4-benzoyloxy-3-chlorobenzoate?
The IUPAC name of methyl 4-benzoyloxy-3-chlorobenzoate (CID 47098649) is methyl 4-benzoyloxy-3-chlorobenzoate.
What is the SMILES notation for methyl 4-benzoyloxy-3-chlorobenzoate?
The canonical SMILES for methyl 4-benzoyloxy-3-chlorobenzoate is COC(=O)c1ccc(OC(=O)c2ccccc2)c(Cl)c1.
What is the InChIKey of methyl 4-benzoyloxy-3-chlorobenzoate?
The InChIKey is MPNRZNQPOTYKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClO4/c1-19-14(17)11-7-8-13(12(16)9-11)20-15(18)10-5-3-2-4-6-10/h2-9H,1H3.
What are the key properties of methyl 4-benzoyloxy-3-chlorobenzoate?
methyl 4-benzoyloxy-3-chlorobenzoate has a molecular weight of 290.70 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-benzoyloxy-3-chlorobenzoate is sourced from PubChem (CID 47098649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).