2-(4-hydroxyphenyl)-3-methylpentanoic acid

C12H16O3 — CID 83820428

IUPAC2-(4-hydroxyphenyl)-3-methylpentanoic acid
SMILESCCC(C)C(C(=O)O)c1ccc(O)cc1
InChIInChI=1S/C12H16O3/c1-3-8(2)11(12(14)15)9-4-6-10(13)7-5-9/h4-8,11,13H,3H2,1-2H3,(H,14,15)
InChIKeyMNFGZIGWSNMUDI-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.61
Rot. Bonds4

About 2-(4-hydroxyphenyl)-3-methylpentanoic acid

2-(4-hydroxyphenyl)-3-methylpentanoic acid (PubChem CID 83820428) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-3-methylpentanoic acid.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-3-methylpentanoic acid
PubChem CID83820428
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name2-(4-hydroxyphenyl)-3-methylpentanoic acid
SMILESCCC(C)C(C(=O)O)c1ccc(O)cc1
InChIInChI=1S/C12H16O3/c1-3-8(2)11(12(14)15)9-4-6-10(13)7-5-9/h4-8,11,13H,3H2,1-2H3,(H,14,15)
InChIKeyMNFGZIGWSNMUDI-UHFFFAOYSA-N
XLogP2.61
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3S)-2,3-bis(4-hydroxyphenyl)pentanoic acid
CID 12962939
4-(4-methylhexan-3-yl)phenol
CID 123259382
2-[1-(4-hydroxyphenyl)propylamino]propanoic acid
CID 61499813
3-methyl-2-pyridin-3-ylpentanoic acid
CID 80522853
2-[(2-amino-3-methylpentanoyl)amino]-2-(4-hydroxyphenyl)acetic acid
CID 20562428
2-ethoxy-2-(4-hydroxyphenyl)acetic acid
CID 70349017
4-(2-methyl-1-nitrobutyl)phenol
CID 54347365
3-ethoxy-2-(4-hydroxyphenyl)-3-oxopropanoic acid
CID 140981315
(2S)-2-[(1R)-1-(4-hydroxyphenyl)ethoxy]propanoic acid
CID 67533355
4-(3-methylheptan-4-yl)phenol
CID 123454111
5-methyl-4-phenylhept-1-yn-3-one
CID 114978498
ethyl 4,4-bis(4-hydroxyphenyl)-3-methylbutanoate
CID 70442287

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-3-methylpentanoic acid?
The IUPAC name of 2-(4-hydroxyphenyl)-3-methylpentanoic acid (CID 83820428) is 2-(4-hydroxyphenyl)-3-methylpentanoic acid.
What is the SMILES notation for 2-(4-hydroxyphenyl)-3-methylpentanoic acid?
The canonical SMILES for 2-(4-hydroxyphenyl)-3-methylpentanoic acid is CCC(C)C(C(=O)O)c1ccc(O)cc1.
What is the InChIKey of 2-(4-hydroxyphenyl)-3-methylpentanoic acid?
The InChIKey is MNFGZIGWSNMUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-3-8(2)11(12(14)15)9-4-6-10(13)7-5-9/h4-8,11,13H,3H2,1-2H3,(H,14,15).
What are the key properties of 2-(4-hydroxyphenyl)-3-methylpentanoic acid?
2-(4-hydroxyphenyl)-3-methylpentanoic acid has a molecular weight of 208.26 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-3-methylpentanoic acid is sourced from PubChem (CID 83820428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).