3-(4-chlorophenyl)-3-hydroxy-2-propan-2-ylpentanoic acid

C14H19ClO3 — CID 62397630

IUPAC3-(4-chlorophenyl)-3-hydroxy-2-propan-2-ylpentanoic acid
SMILESCCC(O)(c1ccc(Cl)cc1)C(C(=O)O)C(C)C
InChIInChI=1S/C14H19ClO3/c1-4-14(18,12(9(2)3)13(16)17)10-5-7-11(15)8-6-10/h5-9,12,18H,4H2,1-3H3,(H,16,17)
InChIKeySNVZYIYIZWKHIH-UHFFFAOYSA-N
MW270.76 g/mol
LogP3.29
Rot. Bonds5

About 3-(4-chlorophenyl)-3-hydroxy-2-propan-2-ylpentanoic acid

3-(4-chlorophenyl)-3-hydroxy-2-propan-2-ylpentanoic acid (PubChem CID 62397630) has the molecular formula C14H19ClO3 and a molecular weight of 270.76 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-3-hydroxy-2-propan-2-ylpentanoic acid.

Molecular Properties

Compound Name3-(4-chlorophenyl)-3-hydroxy-2-propan-2-ylpentanoic acid
PubChem CID62397630
Molecular FormulaC14H19ClO3
Molecular Weight270.76 g/mol
Exact Mass270.10
IUPAC Name3-(4-chlorophenyl)-3-hydroxy-2-propan-2-ylpentanoic acid
SMILESCCC(O)(c1ccc(Cl)cc1)C(C(=O)O)C(C)C
InChIInChI=1S/C14H19ClO3/c1-4-14(18,12(9(2)3)13(16)17)10-5-7-11(15)8-6-10/h5-9,12,18H,4H2,1-3H3,(H,16,17)
InChIKeySNVZYIYIZWKHIH-UHFFFAOYSA-N
XLogP3.29
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-hydroxy-3-(4-hydroxyphenyl)-2-methylpentanoic acid
CID 62396805
3-(4-chlorophenyl)-3-hydroxy-2-methylbutanoic acid
CID 62396227
ethyl 3-(3-chlorophenyl)-3-hydroxy-2-propan-2-ylpentanoate
CID 62398382
2-(4-chlorophenyl)-3-methyl-1-(methylamino)butan-2-ol
CID 82040356
(2S)-2-[[2-(4-chlorophenyl)-2-ethylbutanoyl]amino]propanoic acid
CID 119238087
(2R)-2-[[2-(4-chlorophenyl)-2-ethylbutanoyl]amino]propanoic acid
CID 119244030
3-hydroxy-2-propan-2-yl-3-(4-propan-2-ylphenyl)butanoic acid
CID 62396641
4-amino-3-(4-chlorophenyl)-3-ethylpentanoic acid
CID 66097085
4-(4-chlorophenyl)-4-hydroxyhexanoic acid
CID 66323409
4-amino-3-(4-chlorophenyl)-3-hydroxy-2-phenylbutanoic acid
CID 174362876
2-[2-(4-chlorophenyl)propan-2-yl]propanedioic acid
CID 90150684
(4-hydroxy-4-phenylhexan-3-yl)carbamic acid
CID 20975817

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-3-hydroxy-2-propan-2-ylpentanoic acid?
The IUPAC name of 3-(4-chlorophenyl)-3-hydroxy-2-propan-2-ylpentanoic acid (CID 62397630) is 3-(4-chlorophenyl)-3-hydroxy-2-propan-2-ylpentanoic acid.
What is the SMILES notation for 3-(4-chlorophenyl)-3-hydroxy-2-propan-2-ylpentanoic acid?
The canonical SMILES for 3-(4-chlorophenyl)-3-hydroxy-2-propan-2-ylpentanoic acid is CCC(O)(c1ccc(Cl)cc1)C(C(=O)O)C(C)C.
What is the InChIKey of 3-(4-chlorophenyl)-3-hydroxy-2-propan-2-ylpentanoic acid?
The InChIKey is SNVZYIYIZWKHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClO3/c1-4-14(18,12(9(2)3)13(16)17)10-5-7-11(15)8-6-10/h5-9,12,18H,4H2,1-3H3,(H,16,17).
What are the key properties of 3-(4-chlorophenyl)-3-hydroxy-2-propan-2-ylpentanoic acid?
3-(4-chlorophenyl)-3-hydroxy-2-propan-2-ylpentanoic acid has a molecular weight of 270.76 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-3-hydroxy-2-propan-2-ylpentanoic acid is sourced from PubChem (CID 62397630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).