2-(5-tert-butyl-2-hydroxyphenyl)-4,4-dimethylpentanoic acid

C17H26O3 — CID 175095952

IUPAC2-(5-tert-butyl-2-hydroxyphenyl)-4,4-dimethylpentanoic acid
SMILESCC(C)(C)CC(C(=O)O)c1cc(C(C)(C)C)ccc1O
InChIInChI=1S/C17H26O3/c1-16(2,3)10-13(15(19)20)12-9-11(17(4,5)6)7-8-14(12)18/h7-9,13,18H,10H2,1-6H3,(H,19,20)
InChIKeySSLKUOAYWLQRNI-UHFFFAOYSA-N
MW278.39 g/mol
LogP4.29
Rot. Bonds3

About 2-(5-tert-butyl-2-hydroxyphenyl)-4,4-dimethylpentanoic acid

2-(5-tert-butyl-2-hydroxyphenyl)-4,4-dimethylpentanoic acid (PubChem CID 175095952) has the molecular formula C17H26O3 and a molecular weight of 278.39 g/mol. Its IUPAC name is 2-(5-tert-butyl-2-hydroxyphenyl)-4,4-dimethylpentanoic acid.

Molecular Properties

Compound Name2-(5-tert-butyl-2-hydroxyphenyl)-4,4-dimethylpentanoic acid
PubChem CID175095952
Molecular FormulaC17H26O3
Molecular Weight278.39 g/mol
Exact Mass278.19
IUPAC Name2-(5-tert-butyl-2-hydroxyphenyl)-4,4-dimethylpentanoic acid
SMILESCC(C)(C)CC(C(=O)O)c1cc(C(C)(C)C)ccc1O
InChIInChI=1S/C17H26O3/c1-16(2,3)10-13(15(19)20)12-9-11(17(4,5)6)7-8-14(12)18/h7-9,13,18H,10H2,1-6H3,(H,19,20)
InChIKeySSLKUOAYWLQRNI-UHFFFAOYSA-N
XLogP4.29
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyl-2-hydroxyphenyl)-4,4-dimethylpentanoic acid?
The IUPAC name of 2-(5-tert-butyl-2-hydroxyphenyl)-4,4-dimethylpentanoic acid (CID 175095952) is 2-(5-tert-butyl-2-hydroxyphenyl)-4,4-dimethylpentanoic acid.
What is the SMILES notation for 2-(5-tert-butyl-2-hydroxyphenyl)-4,4-dimethylpentanoic acid?
The canonical SMILES for 2-(5-tert-butyl-2-hydroxyphenyl)-4,4-dimethylpentanoic acid is CC(C)(C)CC(C(=O)O)c1cc(C(C)(C)C)ccc1O.
What is the InChIKey of 2-(5-tert-butyl-2-hydroxyphenyl)-4,4-dimethylpentanoic acid?
The InChIKey is SSLKUOAYWLQRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O3/c1-16(2,3)10-13(15(19)20)12-9-11(17(4,5)6)7-8-14(12)18/h7-9,13,18H,10H2,1-6H3,(H,19,20).
What are the key properties of 2-(5-tert-butyl-2-hydroxyphenyl)-4,4-dimethylpentanoic acid?
2-(5-tert-butyl-2-hydroxyphenyl)-4,4-dimethylpentanoic acid has a molecular weight of 278.39 g/mol, XLogP of 4.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butyl-2-hydroxyphenyl)-4,4-dimethylpentanoic acid is sourced from PubChem (CID 175095952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).