4-(3-chlorophenyl)-5-(4-chlorophenyl)-5-hydroxypentanoic acid

C17H16Cl2O3 — CID 67999647

IUPAC4-(3-chlorophenyl)-5-(4-chlorophenyl)-5-hydroxypentanoic acid
SMILESO=C(O)CCC(c1cccc(Cl)c1)C(O)c1ccc(Cl)cc1
InChIInChI=1S/C17H16Cl2O3/c18-13-6-4-11(5-7-13)17(22)15(8-9-16(20)21)12-2-1-3-14(19)10-12/h1-7,10,15,17,22H,8-9H2,(H,20,21)
InChIKeyXWNCEINYSURNRS-UHFFFAOYSA-N
MW339.22 g/mol
LogP4.68
Rot. Bonds6

About 4-(3-chlorophenyl)-5-(4-chlorophenyl)-5-hydroxypentanoic acid

4-(3-chlorophenyl)-5-(4-chlorophenyl)-5-hydroxypentanoic acid (PubChem CID 67999647) has the molecular formula C17H16Cl2O3 and a molecular weight of 339.22 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-5-(4-chlorophenyl)-5-hydroxypentanoic acid.

Molecular Properties

Compound Name4-(3-chlorophenyl)-5-(4-chlorophenyl)-5-hydroxypentanoic acid
PubChem CID67999647
Molecular FormulaC17H16Cl2O3
Molecular Weight339.22 g/mol
Exact Mass338.05
IUPAC Name4-(3-chlorophenyl)-5-(4-chlorophenyl)-5-hydroxypentanoic acid
SMILESO=C(O)CCC(c1cccc(Cl)c1)C(O)c1ccc(Cl)cc1
InChIInChI=1S/C17H16Cl2O3/c18-13-6-4-11(5-7-13)17(22)15(8-9-16(20)21)12-2-1-3-14(19)10-12/h1-7,10,15,17,22H,8-9H2,(H,20,21)
InChIKeyXWNCEINYSURNRS-UHFFFAOYSA-N
XLogP4.68
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 ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4S,5S)-4-(3-chlorophenyl)-5-(5-chloro-2-pyridinyl)-5-hydroxypentanoic acid
CID 175121808
5-azido-4-(3-chlorophenyl)-5-(4-chlorophenyl)pentanoic acid
CID 141326905
(4S)-4-(3-chlorophenyl)-4-phenylbutanoic acid
CID 129383494
3-amino-1-(3-chlorophenyl)-2-(4-chlorophenyl)propan-1-ol
CID 65186071
(1R,2S)-1-(3-chlorophenyl)-2-(4-chlorophenyl)-4-cyclopropylbutan-1-ol
CID 160646296
5-(4-chlorophenyl)-5-hydroxy-4-(propan-2-ylamino)pentanoic acid
CID 82347917
(4R,5S)-4-(3-chlorophenyl)-5-(4-chlorophenyl)-5-[cyclopropyl(pyridin-2-ylmethyl)amino]pentanoic acid
CID 67999154
4-bromo-5-(3-chlorophenyl)-5-oxopentanoic acid
CID 10357765
5-amino-4-(3-chloro-4-fluorophenyl)-5-(4-chlorophenyl)pentanoic acid
CID 76834841
(4R,5S)-5-amino-4-(3-chlorophenyl)-5-(4-chlorophenyl)-5-(propan-2-ylamino)pentanoic acid
CID 129154293
(2R)-2-amino-1-(3-chlorophenyl)-2-(4-chlorophenyl)ethanol
CID 89490826
(1S)-2-amino-1-(3-chlorophenyl)-2-(4-chlorophenyl)ethanol
CID 118631975

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-5-(4-chlorophenyl)-5-hydroxypentanoic acid?
The IUPAC name of 4-(3-chlorophenyl)-5-(4-chlorophenyl)-5-hydroxypentanoic acid (CID 67999647) is 4-(3-chlorophenyl)-5-(4-chlorophenyl)-5-hydroxypentanoic acid.
What is the SMILES notation for 4-(3-chlorophenyl)-5-(4-chlorophenyl)-5-hydroxypentanoic acid?
The canonical SMILES for 4-(3-chlorophenyl)-5-(4-chlorophenyl)-5-hydroxypentanoic acid is O=C(O)CCC(c1cccc(Cl)c1)C(O)c1ccc(Cl)cc1.
What is the InChIKey of 4-(3-chlorophenyl)-5-(4-chlorophenyl)-5-hydroxypentanoic acid?
The InChIKey is XWNCEINYSURNRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2O3/c18-13-6-4-11(5-7-13)17(22)15(8-9-16(20)21)12-2-1-3-14(19)10-12/h1-7,10,15,17,22H,8-9H2,(H,20,21).
What are the key properties of 4-(3-chlorophenyl)-5-(4-chlorophenyl)-5-hydroxypentanoic acid?
4-(3-chlorophenyl)-5-(4-chlorophenyl)-5-hydroxypentanoic acid has a molecular weight of 339.22 g/mol, XLogP of 4.68, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-5-(4-chlorophenyl)-5-hydroxypentanoic acid is sourced from PubChem (CID 67999647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).