(4R,5R)-4-(3-chlorophenyl)-5-(4-chlorophenyl)-5-hydroxy-2-methylpentanoic acid

C18H18Cl2O3 — CID 58573684

IUPAC(4R,5R)-4-(3-chlorophenyl)-5-(4-chlorophenyl)-5-hydroxy-2-methylpentanoic acid
SMILESCC(C[C@H](c1cccc(Cl)c1)[C@@H](O)c1ccc(Cl)cc1)C(=O)O
InChIInChI=1S/C18H18Cl2O3/c1-11(18(22)23)9-16(13-3-2-4-15(20)10-13)17(21)12-5-7-14(19)8-6-12/h2-8,10-11,16-17,21H,9H2,1H3,(H,22,23)/t11?,16-,17+/m1/s1
InChIKeyQKMOUZIDKKPKCG-FEZAJYJGSA-N
MW353.25 g/mol
LogP4.92
Rot. Bonds6

About (4R,5R)-4-(3-chlorophenyl)-5-(4-chlorophenyl)-5-hydroxy-2-methylpentanoic acid

(4R,5R)-4-(3-chlorophenyl)-5-(4-chlorophenyl)-5-hydroxy-2-methylpentanoic acid (PubChem CID 58573684) has the molecular formula C18H18Cl2O3 and a molecular weight of 353.25 g/mol. Its IUPAC name is (4R,5R)-4-(3-chlorophenyl)-5-(4-chlorophenyl)-5-hydroxy-2-methylpentanoic acid.

Molecular Properties

Compound Name(4R,5R)-4-(3-chlorophenyl)-5-(4-chlorophenyl)-5-hydroxy-2-methylpentanoic acid
PubChem CID58573684
Molecular FormulaC18H18Cl2O3
Molecular Weight353.25 g/mol
Exact Mass352.06
IUPAC Name(4R,5R)-4-(3-chlorophenyl)-5-(4-chlorophenyl)-5-hydroxy-2-methylpentanoic acid
SMILESCC(C[C@H](c1cccc(Cl)c1)[C@@H](O)c1ccc(Cl)cc1)C(=O)O
InChIInChI=1S/C18H18Cl2O3/c1-11(18(22)23)9-16(13-3-2-4-15(20)10-13)17(21)12-5-7-14(19)8-6-12/h2-8,10-11,16-17,21H,9H2,1H3,(H,22,23)/t11?,16-,17+/m1/s1
InChIKeyQKMOUZIDKKPKCG-FEZAJYJGSA-N
XLogP4.92
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.25
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4-(3-chlorophenyl)-5-(4-chlorophenyl)-5-hydroxy-2-methylpentanoic acid?
The IUPAC name of (4R,5R)-4-(3-chlorophenyl)-5-(4-chlorophenyl)-5-hydroxy-2-methylpentanoic acid (CID 58573684) is (4R,5R)-4-(3-chlorophenyl)-5-(4-chlorophenyl)-5-hydroxy-2-methylpentanoic acid.
What is the SMILES notation for (4R,5R)-4-(3-chlorophenyl)-5-(4-chlorophenyl)-5-hydroxy-2-methylpentanoic acid?
The canonical SMILES for (4R,5R)-4-(3-chlorophenyl)-5-(4-chlorophenyl)-5-hydroxy-2-methylpentanoic acid is CC(C[C@H](c1cccc(Cl)c1)[C@@H](O)c1ccc(Cl)cc1)C(=O)O.
What is the InChIKey of (4R,5R)-4-(3-chlorophenyl)-5-(4-chlorophenyl)-5-hydroxy-2-methylpentanoic acid?
The InChIKey is QKMOUZIDKKPKCG-FEZAJYJGSA-N. The full InChI is InChI=1S/C18H18Cl2O3/c1-11(18(22)23)9-16(13-3-2-4-15(20)10-13)17(21)12-5-7-14(19)8-6-12/h2-8,10-11,16-17,21H,9H2,1H3,(H,22,23)/t11?,16-,17+/m1/s1.
What are the key properties of (4R,5R)-4-(3-chlorophenyl)-5-(4-chlorophenyl)-5-hydroxy-2-methylpentanoic acid?
(4R,5R)-4-(3-chlorophenyl)-5-(4-chlorophenyl)-5-hydroxy-2-methylpentanoic acid has a molecular weight of 353.25 g/mol, XLogP of 4.92, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4-(3-chlorophenyl)-5-(4-chlorophenyl)-5-hydroxy-2-methylpentanoic acid is sourced from PubChem (CID 58573684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).