5,5-bis(4-chlorophenyl)-5-hydroxypentanoic acid

C17H16Cl2O3 — CID 15816281

IUPAC5,5-bis(4-chlorophenyl)-5-hydroxypentanoic acid
SMILESO=C(O)CCCC(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H16Cl2O3/c18-14-7-3-12(4-8-14)17(22,11-1-2-16(20)21)13-5-9-15(19)10-6-13/h3-10,22H,1-2,11H2,(H,20,21)
InChIKeyFHOOMQGMWQFUGC-UHFFFAOYSA-N
MW339.22 g/mol
LogP4.48
Rot. Bonds6

About 5,5-bis(4-chlorophenyl)-5-hydroxypentanoic acid

5,5-bis(4-chlorophenyl)-5-hydroxypentanoic acid (PubChem CID 15816281) has the molecular formula C17H16Cl2O3 and a molecular weight of 339.22 g/mol. Its IUPAC name is 5,5-bis(4-chlorophenyl)-5-hydroxypentanoic acid.

Molecular Properties

Compound Name5,5-bis(4-chlorophenyl)-5-hydroxypentanoic acid
PubChem CID15816281
Molecular FormulaC17H16Cl2O3
Molecular Weight339.22 g/mol
Exact Mass338.05
IUPAC Name5,5-bis(4-chlorophenyl)-5-hydroxypentanoic acid
SMILESO=C(O)CCCC(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H16Cl2O3/c18-14-7-3-12(4-8-14)17(22,11-1-2-16(20)21)13-5-9-15(19)10-6-13/h3-10,22H,1-2,11H2,(H,20,21)
InChIKeyFHOOMQGMWQFUGC-UHFFFAOYSA-N
XLogP4.48
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.22
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5-bis(4-chlorophenyl)-5-hydroxypentanoic acid?
The IUPAC name of 5,5-bis(4-chlorophenyl)-5-hydroxypentanoic acid (CID 15816281) is 5,5-bis(4-chlorophenyl)-5-hydroxypentanoic acid.
What is the SMILES notation for 5,5-bis(4-chlorophenyl)-5-hydroxypentanoic acid?
The canonical SMILES for 5,5-bis(4-chlorophenyl)-5-hydroxypentanoic acid is O=C(O)CCCC(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 5,5-bis(4-chlorophenyl)-5-hydroxypentanoic acid?
The InChIKey is FHOOMQGMWQFUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2O3/c18-14-7-3-12(4-8-14)17(22,11-1-2-16(20)21)13-5-9-15(19)10-6-13/h3-10,22H,1-2,11H2,(H,20,21).
What are the key properties of 5,5-bis(4-chlorophenyl)-5-hydroxypentanoic acid?
5,5-bis(4-chlorophenyl)-5-hydroxypentanoic acid has a molecular weight of 339.22 g/mol, XLogP of 4.48, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-bis(4-chlorophenyl)-5-hydroxypentanoic acid is sourced from PubChem (CID 15816281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).