(2S,3R,4R,5R)-10-(2,4-difluorophenyl)-7-[(2,4-difluorophenyl)methyl]deca-7,8-diene-1,2,3,4,5,6-hexol

C23H24F4O6 — CID 141460096

IUPAC(2S,3R,4R,5R)-10-(2,4-difluorophenyl)-7-[(2,4-difluorophenyl)methyl]deca-7,8-diene-1,2,3,4,5,6-hexol
SMILESOC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)C(O)C(=C=CCc1ccc(F)cc1F)Cc1ccc(F)cc1F
InChIInChI=1S/C23H24F4O6/c24-15-6-4-12(17(26)9-15)2-1-3-14(8-13-5-7-16(25)10-18(13)27)20(30)22(32)23(33)21(31)19(29)11-28/h1,4-7,9-10,19-23,28-33H,2,8,11H2/t3?,19-,20?,21+,22+,23-/m0/s1
InChIKeyXJSFXJARRBBTIO-UDKRZHOOSA-N
MW472.43 g/mol
LogP0.91
Rot. Bonds10

About (2S,3R,4R,5R)-10-(2,4-difluorophenyl)-7-[(2,4-difluorophenyl)methyl]deca-7,8-diene-1,2,3,4,5,6-hexol

(2S,3R,4R,5R)-10-(2,4-difluorophenyl)-7-[(2,4-difluorophenyl)methyl]deca-7,8-diene-1,2,3,4,5,6-hexol (PubChem CID 141460096) has the molecular formula C23H24F4O6 and a molecular weight of 472.43 g/mol. Its IUPAC name is (2S,3R,4R,5R)-10-(2,4-difluorophenyl)-7-[(2,4-difluorophenyl)methyl]deca-7,8-diene-1,2,3,4,5,6-hexol.

Molecular Properties

Compound Name(2S,3R,4R,5R)-10-(2,4-difluorophenyl)-7-[(2,4-difluorophenyl)methyl]deca-7,8-diene-1,2,3,4,5,6-hexol
PubChem CID141460096
Molecular FormulaC23H24F4O6
Molecular Weight472.43 g/mol
Exact Mass472.15
IUPAC Name(2S,3R,4R,5R)-10-(2,4-difluorophenyl)-7-[(2,4-difluorophenyl)methyl]deca-7,8-diene-1,2,3,4,5,6-hexol
SMILESOC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)C(O)C(=C=CCc1ccc(F)cc1F)Cc1ccc(F)cc1F
InChIInChI=1S/C23H24F4O6/c24-15-6-4-12(17(26)9-15)2-1-3-14(8-13-5-7-16(25)10-18(13)27)20(30)22(32)23(33)21(31)19(29)11-28/h1,4-7,9-10,19-23,28-33H,2,8,11H2/t3?,19-,20?,21+,22+,23-/m0/s1
InChIKeyXJSFXJARRBBTIO-UDKRZHOOSA-N
XLogP0.91
TPSA121.38 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.43
LogP ≤ 50.91
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Analyze (2S,3R,4R,5R)-10-(2,4-difluorophenyl)-7-[(2,4-difluorophenyl)methyl]deca-7,8-diene-1,2,3,4,5,6-hexol 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 (2S,3R,4R,5R)-10-(2,4-difluorophenyl)-7-[(2,4-difluorophenyl)methyl]deca-7,8-diene-1,2,3,4,5,6-hexol?
The IUPAC name of (2S,3R,4R,5R)-10-(2,4-difluorophenyl)-7-[(2,4-difluorophenyl)methyl]deca-7,8-diene-1,2,3,4,5,6-hexol (CID 141460096) is (2S,3R,4R,5R)-10-(2,4-difluorophenyl)-7-[(2,4-difluorophenyl)methyl]deca-7,8-diene-1,2,3,4,5,6-hexol.
What is the SMILES notation for (2S,3R,4R,5R)-10-(2,4-difluorophenyl)-7-[(2,4-difluorophenyl)methyl]deca-7,8-diene-1,2,3,4,5,6-hexol?
The canonical SMILES for (2S,3R,4R,5R)-10-(2,4-difluorophenyl)-7-[(2,4-difluorophenyl)methyl]deca-7,8-diene-1,2,3,4,5,6-hexol is OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)C(O)C(=C=CCc1ccc(F)cc1F)Cc1ccc(F)cc1F.
What is the InChIKey of (2S,3R,4R,5R)-10-(2,4-difluorophenyl)-7-[(2,4-difluorophenyl)methyl]deca-7,8-diene-1,2,3,4,5,6-hexol?
The InChIKey is XJSFXJARRBBTIO-UDKRZHOOSA-N. The full InChI is InChI=1S/C23H24F4O6/c24-15-6-4-12(17(26)9-15)2-1-3-14(8-13-5-7-16(25)10-18(13)27)20(30)22(32)23(33)21(31)19(29)11-28/h1,4-7,9-10,19-23,28-33H,2,8,11H2/t3?,19-,20?,21+,22+,23-/m0/s1.
What are the key properties of (2S,3R,4R,5R)-10-(2,4-difluorophenyl)-7-[(2,4-difluorophenyl)methyl]deca-7,8-diene-1,2,3,4,5,6-hexol?
(2S,3R,4R,5R)-10-(2,4-difluorophenyl)-7-[(2,4-difluorophenyl)methyl]deca-7,8-diene-1,2,3,4,5,6-hexol has a molecular weight of 472.43 g/mol, XLogP of 0.91, 10 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5R)-10-(2,4-difluorophenyl)-7-[(2,4-difluorophenyl)methyl]deca-7,8-diene-1,2,3,4,5,6-hexol is sourced from PubChem (CID 141460096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).