methyl 2-[[1-(4-chlorophenyl)cyclopentanecarbonyl]oxymethyl]furan-3-carboxylate

C19H19ClO5 — CID 31524530

IUPACmethyl 2-[[1-(4-chlorophenyl)cyclopentanecarbonyl]oxymethyl]furan-3-carboxylate
SMILESCOC(=O)c1ccoc1COC(=O)C1(c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C19H19ClO5/c1-23-17(21)15-8-11-24-16(15)12-25-18(22)19(9-2-3-10-19)13-4-6-14(20)7-5-13/h4-8,11H,2-3,9-10,12H2,1H3
InChIKeyCOXUZYFKVMDLPE-UHFFFAOYSA-N
MW362.81 g/mol
LogP4.27
Rot. Bonds5

About methyl 2-[[1-(4-chlorophenyl)cyclopentanecarbonyl]oxymethyl]furan-3-carboxylate

methyl 2-[[1-(4-chlorophenyl)cyclopentanecarbonyl]oxymethyl]furan-3-carboxylate (PubChem CID 31524530) has the molecular formula C19H19ClO5 and a molecular weight of 362.81 g/mol. Its IUPAC name is methyl 2-[[1-(4-chlorophenyl)cyclopentanecarbonyl]oxymethyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[1-(4-chlorophenyl)cyclopentanecarbonyl]oxymethyl]furan-3-carboxylate
PubChem CID31524530
Molecular FormulaC19H19ClO5
Molecular Weight362.81 g/mol
Exact Mass362.09
IUPAC Namemethyl 2-[[1-(4-chlorophenyl)cyclopentanecarbonyl]oxymethyl]furan-3-carboxylate
SMILESCOC(=O)c1ccoc1COC(=O)C1(c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C19H19ClO5/c1-23-17(21)15-8-11-24-16(15)12-25-18(22)19(9-2-3-10-19)13-4-6-14(20)7-5-13/h4-8,11H,2-3,9-10,12H2,1H3
InChIKeyCOXUZYFKVMDLPE-UHFFFAOYSA-N
XLogP4.27
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.81
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[1-(4-chlorophenyl)cyclopentanecarbonyl]oxymethyl]furan-3-carboxylate with MolForge

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Related Compounds

[2-(ethylamino)-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 2566919
(5-methyl-1,2-oxazol-3-yl)methyl 1-(4-chlorophenyl)cyclobutane-1-carboxylate
CID 55384481
ethyl 1-(4-chlorophenyl)cyclopropane-1-carboxylate
CID 14774392
(4-cyanophenyl)methyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 3344195
[2-(methylcarbamoylamino)-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 2566951
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 4239981
[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 9290804
[2-[[(3S)-3-methyl-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 8759060
[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 16870134
2-(dimethylamino)propan-2-yl 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 138454500
2-pyrrolidin-1-ylethyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 138454525
[2-oxo-2-(pentan-2-ylamino)ethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 16528438

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-(4-chlorophenyl)cyclopentanecarbonyl]oxymethyl]furan-3-carboxylate?
The IUPAC name of methyl 2-[[1-(4-chlorophenyl)cyclopentanecarbonyl]oxymethyl]furan-3-carboxylate (CID 31524530) is methyl 2-[[1-(4-chlorophenyl)cyclopentanecarbonyl]oxymethyl]furan-3-carboxylate.
What is the SMILES notation for methyl 2-[[1-(4-chlorophenyl)cyclopentanecarbonyl]oxymethyl]furan-3-carboxylate?
The canonical SMILES for methyl 2-[[1-(4-chlorophenyl)cyclopentanecarbonyl]oxymethyl]furan-3-carboxylate is COC(=O)c1ccoc1COC(=O)C1(c2ccc(Cl)cc2)CCCC1.
What is the InChIKey of methyl 2-[[1-(4-chlorophenyl)cyclopentanecarbonyl]oxymethyl]furan-3-carboxylate?
The InChIKey is COXUZYFKVMDLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClO5/c1-23-17(21)15-8-11-24-16(15)12-25-18(22)19(9-2-3-10-19)13-4-6-14(20)7-5-13/h4-8,11H,2-3,9-10,12H2,1H3.
What are the key properties of methyl 2-[[1-(4-chlorophenyl)cyclopentanecarbonyl]oxymethyl]furan-3-carboxylate?
methyl 2-[[1-(4-chlorophenyl)cyclopentanecarbonyl]oxymethyl]furan-3-carboxylate has a molecular weight of 362.81 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-(4-chlorophenyl)cyclopentanecarbonyl]oxymethyl]furan-3-carboxylate is sourced from PubChem (CID 31524530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).