methyl 5-[[4-(4-chlorobenzoyl)phenoxy]methyl]furan-2-carboxylate

C20H15ClO5 — CID 7919225

IUPACmethyl 5-[[4-(4-chlorobenzoyl)phenoxy]methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(COc2ccc(C(=O)c3ccc(Cl)cc3)cc2)o1
InChIInChI=1S/C20H15ClO5/c1-24-20(23)18-11-10-17(26-18)12-25-16-8-4-14(5-9-16)19(22)13-2-6-15(21)7-3-13/h2-11H,12H2,1H3
InChIKeyAPKWWGPKYOYIMS-UHFFFAOYSA-N
MW370.79 g/mol
LogP4.53
Rot. Bonds6

About methyl 5-[[4-(4-chlorobenzoyl)phenoxy]methyl]furan-2-carboxylate

methyl 5-[[4-(4-chlorobenzoyl)phenoxy]methyl]furan-2-carboxylate (PubChem CID 7919225) has the molecular formula C20H15ClO5 and a molecular weight of 370.79 g/mol. Its IUPAC name is methyl 5-[[4-(4-chlorobenzoyl)phenoxy]methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[4-(4-chlorobenzoyl)phenoxy]methyl]furan-2-carboxylate
PubChem CID7919225
Molecular FormulaC20H15ClO5
Molecular Weight370.79 g/mol
Exact Mass370.06
IUPAC Namemethyl 5-[[4-(4-chlorobenzoyl)phenoxy]methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(COc2ccc(C(=O)c3ccc(Cl)cc3)cc2)o1
InChIInChI=1S/C20H15ClO5/c1-24-20(23)18-11-10-17(26-18)12-25-16-8-4-14(5-9-16)19(22)13-2-6-15(21)7-3-13/h2-11H,12H2,1H3
InChIKeyAPKWWGPKYOYIMS-UHFFFAOYSA-N
XLogP4.53
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.79
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-chlorophenoxy)methyl]furan-2-carboxylate
CID 4740544
methyl 4-[[5-[(5-chloro-2-hydroxyphenyl)carbamoyl]furan-2-yl]methoxy]benzoate
CID 19448963
methyl 5-[(2,5-dichlorophenoxy)methyl]furan-2-carboxylate
CID 950139
N-tert-butyl-5-[(4-chlorophenoxy)methyl]furan-2-carboxamide
CID 717019
methyl 5-[(4-chlorophenyl)methylsulfanylmethyl]furan-2-carboxylate
CID 112778806
methyl 4-[[5-[[3-(4-chlorophenoxy)-5-nitrophenyl]carbamoyl]furan-2-yl]methoxy]benzoate
CID 19449047
N-[[5-[(4-chlorophenoxy)methyl]furan-2-yl]methyl]ethanamine
CID 62453744
methyl 5-[(2,6-dibromophenoxy)methyl]furan-2-carboxylate
CID 60594327
5-[(4-chlorophenoxy)methyl]-N-(4-iodophenyl)furan-2-carboxamide
CID 126206502
5-[(4-chlorophenoxy)methyl]-N-[2-(diethylamino)ethyl]furan-2-carboxamide
CID 19415421
methyl 4-[[5-(cyclododecylcarbamoyl)furan-2-yl]methoxy]benzoate
CID 17024109
ethyl 5-[[4-(methoxymethyl)phenoxy]methyl]furan-2-carboxylate
CID 10017085

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[4-(4-chlorobenzoyl)phenoxy]methyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[[4-(4-chlorobenzoyl)phenoxy]methyl]furan-2-carboxylate (CID 7919225) is methyl 5-[[4-(4-chlorobenzoyl)phenoxy]methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[[4-(4-chlorobenzoyl)phenoxy]methyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[[4-(4-chlorobenzoyl)phenoxy]methyl]furan-2-carboxylate is COC(=O)c1ccc(COc2ccc(C(=O)c3ccc(Cl)cc3)cc2)o1.
What is the InChIKey of methyl 5-[[4-(4-chlorobenzoyl)phenoxy]methyl]furan-2-carboxylate?
The InChIKey is APKWWGPKYOYIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClO5/c1-24-20(23)18-11-10-17(26-18)12-25-16-8-4-14(5-9-16)19(22)13-2-6-15(21)7-3-13/h2-11H,12H2,1H3.
What are the key properties of methyl 5-[[4-(4-chlorobenzoyl)phenoxy]methyl]furan-2-carboxylate?
methyl 5-[[4-(4-chlorobenzoyl)phenoxy]methyl]furan-2-carboxylate has a molecular weight of 370.79 g/mol, XLogP of 4.53, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[4-(4-chlorobenzoyl)phenoxy]methyl]furan-2-carboxylate is sourced from PubChem (CID 7919225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).