[5-(2,3-dichlorophenyl)furan-2-yl]methyl 3,5-dimethoxybenzoate

C20H16Cl2O5 — CID 19631643

IUPAC[5-(2,3-dichlorophenyl)furan-2-yl]methyl 3,5-dimethoxybenzoate
SMILESCOc1cc(OC)cc(C(=O)OCc2ccc(-c3cccc(Cl)c3Cl)o2)c1
InChIInChI=1S/C20H16Cl2O5/c1-24-14-8-12(9-15(10-14)25-2)20(23)26-11-13-6-7-18(27-13)16-4-3-5-17(21)19(16)22/h3-10H,11H2,1-2H3
InChIKeyPFUHVBQDCYCRAL-UHFFFAOYSA-N
MW407.25 g/mol
LogP5.63
Rot. Bonds6

About [5-(2,3-dichlorophenyl)furan-2-yl]methyl 3,5-dimethoxybenzoate

[5-(2,3-dichlorophenyl)furan-2-yl]methyl 3,5-dimethoxybenzoate (PubChem CID 19631643) has the molecular formula C20H16Cl2O5 and a molecular weight of 407.25 g/mol. Its IUPAC name is [5-(2,3-dichlorophenyl)furan-2-yl]methyl 3,5-dimethoxybenzoate.

Molecular Properties

Compound Name[5-(2,3-dichlorophenyl)furan-2-yl]methyl 3,5-dimethoxybenzoate
PubChem CID19631643
Molecular FormulaC20H16Cl2O5
Molecular Weight407.25 g/mol
Exact Mass406.04
IUPAC Name[5-(2,3-dichlorophenyl)furan-2-yl]methyl 3,5-dimethoxybenzoate
SMILESCOc1cc(OC)cc(C(=O)OCc2ccc(-c3cccc(Cl)c3Cl)o2)c1
InChIInChI=1S/C20H16Cl2O5/c1-24-14-8-12(9-15(10-14)25-2)20(23)26-11-13-6-7-18(27-13)16-4-3-5-17(21)19(16)22/h3-10H,11H2,1-2H3
InChIKeyPFUHVBQDCYCRAL-UHFFFAOYSA-N
XLogP5.63
TPSA57.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.25
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(2,3-dichlorophenyl)furan-2-yl]methyl 3-chloro-4-methoxybenzoate
CID 22775868
[5-(2,3-dichlorophenyl)furan-2-yl]methyl 4-propan-2-yloxybenzoate
CID 19631409
[5-(2,3-dichlorophenyl)furan-2-yl]methyl 2-chloro-5-iodobenzoate
CID 23100763
[5-(2,3-dichlorophenyl)furan-2-yl]methyl 2-(4-methylphenoxy)acetate
CID 19630207
methyl 5-[(3,5-dimethoxybenzoyl)oxymethyl]furan-2-carboxylate
CID 2516450
[5-(2,3-dichlorophenyl)furan-2-yl]methyl 2-(2,4-dichlorophenoxy)acetate
CID 22781916
methyl 5-[(3-methoxybenzoyl)oxymethyl]furan-2-carboxylate
CID 2110550
(2,6-dichlorophenyl)-(3,5-dimethoxyphenyl)methanone
CID 112694085
1-[5-(2,3-dichlorophenyl)furan-2-yl]propan-2-amine
CID 55180544
methyl 5-[(3,5-dichloro-4-methoxybenzoyl)oxymethyl]furan-2-carboxylate
CID 9125878
N-[2-(4-chloro-1,3-dioxoisoindol-2-yl)ethyl]-3,5-dimethoxybenzamide
CID 113082038
(E)-3-[5-(2,3-dichlorophenyl)furan-2-yl]-1-(2,4-dimethoxyphenyl)prop-2-en-1-one
CID 6281613

Frequently Asked Questions

What is the IUPAC name of [5-(2,3-dichlorophenyl)furan-2-yl]methyl 3,5-dimethoxybenzoate?
The IUPAC name of [5-(2,3-dichlorophenyl)furan-2-yl]methyl 3,5-dimethoxybenzoate (CID 19631643) is [5-(2,3-dichlorophenyl)furan-2-yl]methyl 3,5-dimethoxybenzoate.
What is the SMILES notation for [5-(2,3-dichlorophenyl)furan-2-yl]methyl 3,5-dimethoxybenzoate?
The canonical SMILES for [5-(2,3-dichlorophenyl)furan-2-yl]methyl 3,5-dimethoxybenzoate is COc1cc(OC)cc(C(=O)OCc2ccc(-c3cccc(Cl)c3Cl)o2)c1.
What is the InChIKey of [5-(2,3-dichlorophenyl)furan-2-yl]methyl 3,5-dimethoxybenzoate?
The InChIKey is PFUHVBQDCYCRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2O5/c1-24-14-8-12(9-15(10-14)25-2)20(23)26-11-13-6-7-18(27-13)16-4-3-5-17(21)19(16)22/h3-10H,11H2,1-2H3.
What are the key properties of [5-(2,3-dichlorophenyl)furan-2-yl]methyl 3,5-dimethoxybenzoate?
[5-(2,3-dichlorophenyl)furan-2-yl]methyl 3,5-dimethoxybenzoate has a molecular weight of 407.25 g/mol, XLogP of 5.63, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,3-dichlorophenyl)furan-2-yl]methyl 3,5-dimethoxybenzoate is sourced from PubChem (CID 19631643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).