[5-(2,3-dichlorophenyl)furan-2-yl]methyl 3-chloro-4-methoxybenzoate

C19H13Cl3O4 — CID 22775868

IUPAC[5-(2,3-dichlorophenyl)furan-2-yl]methyl 3-chloro-4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCc2ccc(-c3cccc(Cl)c3Cl)o2)cc1Cl
InChIInChI=1S/C19H13Cl3O4/c1-24-17-7-5-11(9-15(17)21)19(23)25-10-12-6-8-16(26-12)13-3-2-4-14(20)18(13)22/h2-9H,10H2,1H3
InChIKeyHHXTWBKZFROUIV-UHFFFAOYSA-N
MW411.67 g/mol
LogP6.27
Rot. Bonds5

About [5-(2,3-dichlorophenyl)furan-2-yl]methyl 3-chloro-4-methoxybenzoate

[5-(2,3-dichlorophenyl)furan-2-yl]methyl 3-chloro-4-methoxybenzoate (PubChem CID 22775868) has the molecular formula C19H13Cl3O4 and a molecular weight of 411.67 g/mol. Its IUPAC name is [5-(2,3-dichlorophenyl)furan-2-yl]methyl 3-chloro-4-methoxybenzoate.

Molecular Properties

Compound Name[5-(2,3-dichlorophenyl)furan-2-yl]methyl 3-chloro-4-methoxybenzoate
PubChem CID22775868
Molecular FormulaC19H13Cl3O4
Molecular Weight411.67 g/mol
Exact Mass409.99
IUPAC Name[5-(2,3-dichlorophenyl)furan-2-yl]methyl 3-chloro-4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCc2ccc(-c3cccc(Cl)c3Cl)o2)cc1Cl
InChIInChI=1S/C19H13Cl3O4/c1-24-17-7-5-11(9-15(17)21)19(23)25-10-12-6-8-16(26-12)13-3-2-4-14(20)18(13)22/h2-9H,10H2,1H3
InChIKeyHHXTWBKZFROUIV-UHFFFAOYSA-N
XLogP6.27
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.67
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(2,3-dichlorophenyl)furan-2-yl]methyl 3,5-dimethoxybenzoate
CID 19631643
[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-(2,4-dichlorophenoxy)acetate
CID 22781916
(2,6-dichlorophenyl)methyl 3,4-dimethoxybenzoate
CID 925956
[5-(2,3-dichlorophenyl)furan-2-yl]methyl 2-(4-methylphenoxy)acetate
CID 19630207
N-(4-chloro-2,5-dimethoxyphenyl)-5-(2,3-dichlorophenyl)furan-2-carboxamide
CID 1277633
(2-fluoro-3-methoxyphenyl)methyl 4-amino-3-chlorobenzoate
CID 104794399
(2-methoxy-5-methylphenyl)methyl 4-amino-3-chlorobenzoate
CID 78996965
1-[5-(2,3-dichlorophenyl)furan-2-yl]propan-2-amine
CID 55180544
(2-amino-6-methoxyphenyl)-(3-chloro-4-methoxyphenyl)methanone
CID 81414308
methyl 5-[(3,5-dichloro-4-methoxybenzoyl)oxymethyl]furan-2-carboxylate
CID 9125878

Frequently Asked Questions

What is the IUPAC name of [5-(2,3-dichlorophenyl)furan-2-yl]methyl 3-chloro-4-methoxybenzoate?
The IUPAC name of [5-(2,3-dichlorophenyl)furan-2-yl]methyl 3-chloro-4-methoxybenzoate (CID 22775868) is [5-(2,3-dichlorophenyl)furan-2-yl]methyl 3-chloro-4-methoxybenzoate.
What is the SMILES notation for [5-(2,3-dichlorophenyl)furan-2-yl]methyl 3-chloro-4-methoxybenzoate?
The canonical SMILES for [5-(2,3-dichlorophenyl)furan-2-yl]methyl 3-chloro-4-methoxybenzoate is COc1ccc(C(=O)OCc2ccc(-c3cccc(Cl)c3Cl)o2)cc1Cl.
What is the InChIKey of [5-(2,3-dichlorophenyl)furan-2-yl]methyl 3-chloro-4-methoxybenzoate?
The InChIKey is HHXTWBKZFROUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl3O4/c1-24-17-7-5-11(9-15(17)21)19(23)25-10-12-6-8-16(26-12)13-3-2-4-14(20)18(13)22/h2-9H,10H2,1H3.
What are the key properties of [5-(2,3-dichlorophenyl)furan-2-yl]methyl 3-chloro-4-methoxybenzoate?
[5-(2,3-dichlorophenyl)furan-2-yl]methyl 3-chloro-4-methoxybenzoate has a molecular weight of 411.67 g/mol, XLogP of 6.27, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,3-dichlorophenyl)furan-2-yl]methyl 3-chloro-4-methoxybenzoate is sourced from PubChem (CID 22775868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).