3-hydroxy-3-(4-methylphenyl)-2-propylpentanoic acid

C15H22O3 — CID 83042975

IUPAC3-hydroxy-3-(4-methylphenyl)-2-propylpentanoic acid
SMILESCCCC(C(=O)O)C(O)(CC)c1ccc(C)cc1
InChIInChI=1S/C15H22O3/c1-4-6-13(14(16)17)15(18,5-2)12-9-7-11(3)8-10-12/h7-10,13,18H,4-6H2,1-3H3,(H,16,17)
InChIKeyUHXFECXAMFXBCT-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.09
Rot. Bonds6

About 3-hydroxy-3-(4-methylphenyl)-2-propylpentanoic acid

3-hydroxy-3-(4-methylphenyl)-2-propylpentanoic acid (PubChem CID 83042975) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-hydroxy-3-(4-methylphenyl)-2-propylpentanoic acid.

Molecular Properties

Compound Name3-hydroxy-3-(4-methylphenyl)-2-propylpentanoic acid
PubChem CID83042975
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name3-hydroxy-3-(4-methylphenyl)-2-propylpentanoic acid
SMILESCCCC(C(=O)O)C(O)(CC)c1ccc(C)cc1
InChIInChI=1S/C15H22O3/c1-4-6-13(14(16)17)15(18,5-2)12-9-7-11(3)8-10-12/h7-10,13,18H,4-6H2,1-3H3,(H,16,17)
InChIKeyUHXFECXAMFXBCT-UHFFFAOYSA-N
XLogP3.09
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-3-hydroxy-3-(4-methoxyphenyl)pentanoic acid
CID 62396819
1,1-difluoro-2-(4-methylphenyl)butan-2-ol
CID 80605948
3-(5-fluoro-2-pyridinyl)-3-hydroxy-2-propylpentanoic acid
CID 112586443
3-hydroxy-3-(4-hydroxyphenyl)-2-methylpentanoic acid
CID 62396805
3-hydroxy-3-(4-methylphenyl)pentanoic acid
CID 62395934
(4-hydroxy-4-phenylhexan-3-yl)carbamic acid
CID 20975817
3-(4-chlorophenyl)-3-hydroxy-2-propan-2-ylpentanoic acid
CID 62397630
(2R)-2-amino-2-(4-methylphenyl)butanoic acid
CID 7046915
2-(trifluoromethyl)pentanoic acid
CID 20539748
ethyl 2-fluoro-3-hydroxy-3-(4-hydroxyphenyl)pentanoate
CID 79366102
ethyl 2-[1-(4-ethylphenyl)-1-hydroxyethyl]pentanoate
CID 83042890
ethyl 3-(2-fluorophenyl)-3-hydroxy-2-propylpentanoate
CID 115997209

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-(4-methylphenyl)-2-propylpentanoic acid?
The IUPAC name of 3-hydroxy-3-(4-methylphenyl)-2-propylpentanoic acid (CID 83042975) is 3-hydroxy-3-(4-methylphenyl)-2-propylpentanoic acid.
What is the SMILES notation for 3-hydroxy-3-(4-methylphenyl)-2-propylpentanoic acid?
The canonical SMILES for 3-hydroxy-3-(4-methylphenyl)-2-propylpentanoic acid is CCCC(C(=O)O)C(O)(CC)c1ccc(C)cc1.
What is the InChIKey of 3-hydroxy-3-(4-methylphenyl)-2-propylpentanoic acid?
The InChIKey is UHXFECXAMFXBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-4-6-13(14(16)17)15(18,5-2)12-9-7-11(3)8-10-12/h7-10,13,18H,4-6H2,1-3H3,(H,16,17).
What are the key properties of 3-hydroxy-3-(4-methylphenyl)-2-propylpentanoic acid?
3-hydroxy-3-(4-methylphenyl)-2-propylpentanoic acid has a molecular weight of 250.34 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-(4-methylphenyl)-2-propylpentanoic acid is sourced from PubChem (CID 83042975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).