5-(2,4-dichlorophenyl)-5-hydroxy-3-methylpentanoic acid

C12H14Cl2O3 — CID 62942590

IUPAC5-(2,4-dichlorophenyl)-5-hydroxy-3-methylpentanoic acid
SMILESCC(CC(=O)O)CC(O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H14Cl2O3/c1-7(5-12(16)17)4-11(15)9-3-2-8(13)6-10(9)14/h2-3,6-7,11,15H,4-5H2,1H3,(H,16,17)
InChIKeyPPYCJIQZWAXPCJ-UHFFFAOYSA-N
MW277.15 g/mol
LogP3.53
Rot. Bonds5

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

5-(2,4-dichlorophenyl)-5-hydroxy-3-methylpentanoic acid (PubChem CID 62942590) has the molecular formula C12H14Cl2O3 and a molecular weight of 277.15 g/mol. Its IUPAC name is 5-(2,4-dichlorophenyl)-5-hydroxy-3-methylpentanoic acid.

Molecular Properties

Compound Name5-(2,4-dichlorophenyl)-5-hydroxy-3-methylpentanoic acid
PubChem CID62942590
Molecular FormulaC12H14Cl2O3
Molecular Weight277.15 g/mol
Exact Mass276.03
IUPAC Name5-(2,4-dichlorophenyl)-5-hydroxy-3-methylpentanoic acid
SMILESCC(CC(=O)O)CC(O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H14Cl2O3/c1-7(5-12(16)17)4-11(15)9-3-2-8(13)6-10(9)14/h2-3,6-7,11,15H,4-5H2,1H3,(H,16,17)
InChIKeyPPYCJIQZWAXPCJ-UHFFFAOYSA-N
XLogP3.53
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.15
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dichlorophenyl)-3-methylhexan-1-ol
CID 65151033
5-[1-(2,4-dichlorophenyl)ethyl-methylamino]-3-methyl-5-oxopentanoic acid
CID 62963870
3-(4-chloro-2-methylphenyl)-3-hydroxypropanoic acid
CID 104880183
(3R)-3-(2,4-dichlorophenyl)-5-methoxy-5-oxopentanoic acid
CID 102173737
1-(2,4-dichlorophenyl)-2-(dimethylamino)ethanol
CID 15501082
1-(2,4-dichlorophenyl)-4-methylpentan-1-ol
CID 61272351
methyl (Z)-5-(2,4-dichlorophenyl)-3,5-dihydroxypent-2-enoate
CID 134105150
(3S)-3-(4-chloro-2-methoxyphenyl)-3-hydroxypropanoic acid
CID 96804173
(1S,3S)-3-amino-1-(2,4-dichlorophenyl)-4,4-dimethylpentan-1-ol
CID 171237148
(3R)-3-cyano-3-(2,4-dichlorophenyl)propanoic acid
CID 92982599
3-(2,4-dichlorophenyl)-3-triphenylgermylpropanoic acid
CID 15180323
3-[(2,4-dichlorophenyl)methylsulfinyl]butanoic acid
CID 66112809

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dichlorophenyl)-5-hydroxy-3-methylpentanoic acid?
The IUPAC name of 5-(2,4-dichlorophenyl)-5-hydroxy-3-methylpentanoic acid (CID 62942590) is 5-(2,4-dichlorophenyl)-5-hydroxy-3-methylpentanoic acid.
What is the SMILES notation for 5-(2,4-dichlorophenyl)-5-hydroxy-3-methylpentanoic acid?
The canonical SMILES for 5-(2,4-dichlorophenyl)-5-hydroxy-3-methylpentanoic acid is CC(CC(=O)O)CC(O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 5-(2,4-dichlorophenyl)-5-hydroxy-3-methylpentanoic acid?
The InChIKey is PPYCJIQZWAXPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2O3/c1-7(5-12(16)17)4-11(15)9-3-2-8(13)6-10(9)14/h2-3,6-7,11,15H,4-5H2,1H3,(H,16,17).
What are the key properties of 5-(2,4-dichlorophenyl)-5-hydroxy-3-methylpentanoic acid?
5-(2,4-dichlorophenyl)-5-hydroxy-3-methylpentanoic acid has a molecular weight of 277.15 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dichlorophenyl)-5-hydroxy-3-methylpentanoic acid is sourced from PubChem (CID 62942590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).