[5-(2,3-dichlorophenyl)furan-2-yl]methyl 4-propan-2-yloxybenzoate

C21H18Cl2O4 — CID 19631409

IUPAC[5-(2,3-dichlorophenyl)furan-2-yl]methyl 4-propan-2-yloxybenzoate
SMILESCC(C)Oc1ccc(C(=O)OCc2ccc(-c3cccc(Cl)c3Cl)o2)cc1
InChIInChI=1S/C21H18Cl2O4/c1-13(2)26-15-8-6-14(7-9-15)21(24)25-12-16-10-11-19(27-16)17-4-3-5-18(22)20(17)23/h3-11,13H,12H2,1-2H3
InChIKeyXOWPSQWWHDXUNZ-UHFFFAOYSA-N
MW405.28 g/mol
LogP6.40
Rot. Bonds6

About [5-(2,3-dichlorophenyl)furan-2-yl]methyl 4-propan-2-yloxybenzoate

[5-(2,3-dichlorophenyl)furan-2-yl]methyl 4-propan-2-yloxybenzoate (PubChem CID 19631409) has the molecular formula C21H18Cl2O4 and a molecular weight of 405.28 g/mol. Its IUPAC name is [5-(2,3-dichlorophenyl)furan-2-yl]methyl 4-propan-2-yloxybenzoate.

Molecular Properties

Compound Name[5-(2,3-dichlorophenyl)furan-2-yl]methyl 4-propan-2-yloxybenzoate
PubChem CID19631409
Molecular FormulaC21H18Cl2O4
Molecular Weight405.28 g/mol
Exact Mass404.06
IUPAC Name[5-(2,3-dichlorophenyl)furan-2-yl]methyl 4-propan-2-yloxybenzoate
SMILESCC(C)Oc1ccc(C(=O)OCc2ccc(-c3cccc(Cl)c3Cl)o2)cc1
InChIInChI=1S/C21H18Cl2O4/c1-13(2)26-15-8-6-14(7-9-15)21(24)25-12-16-10-11-19(27-16)17-4-3-5-18(22)20(17)23/h3-11,13H,12H2,1-2H3
InChIKeyXOWPSQWWHDXUNZ-UHFFFAOYSA-N
XLogP6.40
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.28
LogP ≤ 56.40
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 3-chloro-4-methoxybenzoate
CID 22775868
[5-(2,3-dichlorophenyl)furan-2-yl]methyl 2-(4-methylphenoxy)acetate
CID 19630207
[5-(2,3-dichlorophenyl)furan-2-yl]methyl 2-chloro-5-iodobenzoate
CID 23100763
1-[5-(2,3-dichlorophenyl)furan-2-yl]propan-2-amine
CID 55180544
benzyl 4-propan-2-yloxybenzoate
CID 70079883
[5-(2,3-dichlorophenyl)furan-2-yl]methyl 2-(2,4-dichlorophenoxy)acetate
CID 22781916
(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 4-propan-2-yloxybenzoate
CID 7627354
N-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-propan-2-yloxybenzamide
CID 28672414
N-[[3-chloro-4-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-4-propan-2-yloxybenzamide
CID 28688010
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-propan-2-yloxybenzoate
CID 8751669
2-methylpropyl 2-cyano-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enoate
CID 3730730

Frequently Asked Questions

What is the IUPAC name of [5-(2,3-dichlorophenyl)furan-2-yl]methyl 4-propan-2-yloxybenzoate?
The IUPAC name of [5-(2,3-dichlorophenyl)furan-2-yl]methyl 4-propan-2-yloxybenzoate (CID 19631409) is [5-(2,3-dichlorophenyl)furan-2-yl]methyl 4-propan-2-yloxybenzoate.
What is the SMILES notation for [5-(2,3-dichlorophenyl)furan-2-yl]methyl 4-propan-2-yloxybenzoate?
The canonical SMILES for [5-(2,3-dichlorophenyl)furan-2-yl]methyl 4-propan-2-yloxybenzoate is CC(C)Oc1ccc(C(=O)OCc2ccc(-c3cccc(Cl)c3Cl)o2)cc1.
What is the InChIKey of [5-(2,3-dichlorophenyl)furan-2-yl]methyl 4-propan-2-yloxybenzoate?
The InChIKey is XOWPSQWWHDXUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2O4/c1-13(2)26-15-8-6-14(7-9-15)21(24)25-12-16-10-11-19(27-16)17-4-3-5-18(22)20(17)23/h3-11,13H,12H2,1-2H3.
What are the key properties of [5-(2,3-dichlorophenyl)furan-2-yl]methyl 4-propan-2-yloxybenzoate?
[5-(2,3-dichlorophenyl)furan-2-yl]methyl 4-propan-2-yloxybenzoate has a molecular weight of 405.28 g/mol, XLogP of 6.40, 6 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 4-propan-2-yloxybenzoate is sourced from PubChem (CID 19631409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).