1,3-dichloro-5-[(3-fluorocyclopentyl)methoxy]benzene;ethane;methyl 5-butylthiophene-2-carboxylate

C24H33Cl2FO3S — CID 143884275

IUPAC1,3-dichloro-5-[(3-fluorocyclopentyl)methoxy]benzene;ethane;methyl 5-butylthiophene-2-carboxylate
SMILESCC.CCCCc1ccc(C(=O)OC)s1.FC1CCC(COc2cc(Cl)cc(Cl)c2)C1
InChIInChI=1S/C12H13Cl2FO.C10H14O2S.C2H6/c13-9-4-10(14)6-12(5-9)16-7-8-1-2-11(15)3-8;1-3-4-5-8-6-7-9(13-8)10(11)12-2;1-2/h4-6,8,11H,1-3,7H2;6-7H,3-5H2,1-2H3;1-2H3
InChIKeyXNURCPHIPKSNSW-UHFFFAOYSA-N
MW491.50 g/mol
LogP8.41
Rot. Bonds7

About 1,3-dichloro-5-[(3-fluorocyclopentyl)methoxy]benzene;ethane;methyl 5-butylthiophene-2-carboxylate

1,3-dichloro-5-[(3-fluorocyclopentyl)methoxy]benzene;ethane;methyl 5-butylthiophene-2-carboxylate (PubChem CID 143884275) has the molecular formula C24H33Cl2FO3S and a molecular weight of 491.50 g/mol. Its IUPAC name is 1,3-dichloro-5-[(3-fluorocyclopentyl)methoxy]benzene;ethane;methyl 5-butylthiophene-2-carboxylate.

Molecular Properties

Compound Name1,3-dichloro-5-[(3-fluorocyclopentyl)methoxy]benzene;ethane;methyl 5-butylthiophene-2-carboxylate
PubChem CID143884275
Molecular FormulaC24H33Cl2FO3S
Molecular Weight491.50 g/mol
Exact Mass490.15
IUPAC Name1,3-dichloro-5-[(3-fluorocyclopentyl)methoxy]benzene;ethane;methyl 5-butylthiophene-2-carboxylate
SMILESCC.CCCCc1ccc(C(=O)OC)s1.FC1CCC(COc2cc(Cl)cc(Cl)c2)C1
InChIInChI=1S/C12H13Cl2FO.C10H14O2S.C2H6/c13-9-4-10(14)6-12(5-9)16-7-8-1-2-11(15)3-8;1-3-4-5-8-6-7-9(13-8)10(11)12-2;1-2/h4-6,8,11H,1-3,7H2;6-7H,3-5H2,1-2H3;1-2H3
InChIKeyXNURCPHIPKSNSW-UHFFFAOYSA-N
XLogP8.41
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.50
LogP ≤ 58.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1,3-dichloro-5-[(3-fluorocyclopentyl)methoxy]benzene;ethane;methyl 5-butylthiophene-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-5-[(3-fluorocyclopentyl)methoxy]benzene;ethane;methyl 5-butylthiophene-2-carboxylate?
The IUPAC name of 1,3-dichloro-5-[(3-fluorocyclopentyl)methoxy]benzene;ethane;methyl 5-butylthiophene-2-carboxylate (CID 143884275) is 1,3-dichloro-5-[(3-fluorocyclopentyl)methoxy]benzene;ethane;methyl 5-butylthiophene-2-carboxylate.
What is the SMILES notation for 1,3-dichloro-5-[(3-fluorocyclopentyl)methoxy]benzene;ethane;methyl 5-butylthiophene-2-carboxylate?
The canonical SMILES for 1,3-dichloro-5-[(3-fluorocyclopentyl)methoxy]benzene;ethane;methyl 5-butylthiophene-2-carboxylate is CC.CCCCc1ccc(C(=O)OC)s1.FC1CCC(COc2cc(Cl)cc(Cl)c2)C1.
What is the InChIKey of 1,3-dichloro-5-[(3-fluorocyclopentyl)methoxy]benzene;ethane;methyl 5-butylthiophene-2-carboxylate?
The InChIKey is XNURCPHIPKSNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2FO.C10H14O2S.C2H6/c13-9-4-10(14)6-12(5-9)16-7-8-1-2-11(15)3-8;1-3-4-5-8-6-7-9(13-8)10(11)12-2;1-2/h4-6,8,11H,1-3,7H2;6-7H,3-5H2,1-2H3;1-2H3.
What are the key properties of 1,3-dichloro-5-[(3-fluorocyclopentyl)methoxy]benzene;ethane;methyl 5-butylthiophene-2-carboxylate?
1,3-dichloro-5-[(3-fluorocyclopentyl)methoxy]benzene;ethane;methyl 5-butylthiophene-2-carboxylate has a molecular weight of 491.50 g/mol, XLogP of 8.41, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-5-[(3-fluorocyclopentyl)methoxy]benzene;ethane;methyl 5-butylthiophene-2-carboxylate is sourced from PubChem (CID 143884275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).