5-(3-tert-butyl-4-hydroxy-5-methylphenyl)-2,5-dimethylhexanoic acid

C19H30O3 — CID 88714569

IUPAC5-(3-tert-butyl-4-hydroxy-5-methylphenyl)-2,5-dimethylhexanoic acid
SMILESCc1cc(C(C)(C)CCC(C)C(=O)O)cc(C(C)(C)C)c1O
InChIInChI=1S/C19H30O3/c1-12(17(21)22)8-9-19(6,7)14-10-13(2)16(20)15(11-14)18(3,4)5/h10-12,20H,8-9H2,1-7H3,(H,21,22)
InChIKeyIFZZCUUHPNBADW-UHFFFAOYSA-N
MW306.45 g/mol
LogP4.78
Rot. Bonds5

About 5-(3-tert-butyl-4-hydroxy-5-methylphenyl)-2,5-dimethylhexanoic acid

5-(3-tert-butyl-4-hydroxy-5-methylphenyl)-2,5-dimethylhexanoic acid (PubChem CID 88714569) has the molecular formula C19H30O3 and a molecular weight of 306.45 g/mol. Its IUPAC name is 5-(3-tert-butyl-4-hydroxy-5-methylphenyl)-2,5-dimethylhexanoic acid.

Molecular Properties

Compound Name5-(3-tert-butyl-4-hydroxy-5-methylphenyl)-2,5-dimethylhexanoic acid
PubChem CID88714569
Molecular FormulaC19H30O3
Molecular Weight306.45 g/mol
Exact Mass306.22
IUPAC Name5-(3-tert-butyl-4-hydroxy-5-methylphenyl)-2,5-dimethylhexanoic acid
SMILESCc1cc(C(C)(C)CCC(C)C(=O)O)cc(C(C)(C)C)c1O
InChIInChI=1S/C19H30O3/c1-12(17(21)22)8-9-19(6,7)14-10-13(2)16(20)15(11-14)18(3,4)5/h10-12,20H,8-9H2,1-7H3,(H,21,22)
InChIKeyIFZZCUUHPNBADW-UHFFFAOYSA-N
XLogP4.78
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-(3-tert-butyl-4-hydroxy-5-methylphenyl)-2,5-dimethylhexanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-Di-tert-butyl-4-methylphenol
CID 31404
2,4-Di-tert-butylphenol
CID 7311
3-(4-Hydroxyphenyl)propionic acid
CID 10394
Bisphenol C
CID 6620
2,6-Di-tert-butyl-4-ethylphenol
CID 20087
2,4-Di-tert-pentylphenol
CID 8455
4-sec-Butyl-2,6-di-tert-butylphenol
CID 86583
3-(3',5'-Di-tert-butyl-4'-hydroxyphenyl)propionic acid
CID 88389
4,4'-Isopropylidenedi-2,6-xylol
CID 79717
4,4'-Methylenebis(2,6-di-tert-butylphenol)
CID 8372
2,4,6-Tri-tert-butylphenol
CID 12902
4,4'-Bis(4-hydroxyphenyl)valeric acid
CID 67174

Frequently Asked Questions

What is the IUPAC name of 5-(3-tert-butyl-4-hydroxy-5-methylphenyl)-2,5-dimethylhexanoic acid?
The IUPAC name of 5-(3-tert-butyl-4-hydroxy-5-methylphenyl)-2,5-dimethylhexanoic acid (CID 88714569) is 5-(3-tert-butyl-4-hydroxy-5-methylphenyl)-2,5-dimethylhexanoic acid.
What is the SMILES notation for 5-(3-tert-butyl-4-hydroxy-5-methylphenyl)-2,5-dimethylhexanoic acid?
The canonical SMILES for 5-(3-tert-butyl-4-hydroxy-5-methylphenyl)-2,5-dimethylhexanoic acid is Cc1cc(C(C)(C)CCC(C)C(=O)O)cc(C(C)(C)C)c1O.
What is the InChIKey of 5-(3-tert-butyl-4-hydroxy-5-methylphenyl)-2,5-dimethylhexanoic acid?
The InChIKey is IFZZCUUHPNBADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O3/c1-12(17(21)22)8-9-19(6,7)14-10-13(2)16(20)15(11-14)18(3,4)5/h10-12,20H,8-9H2,1-7H3,(H,21,22).
What are the key properties of 5-(3-tert-butyl-4-hydroxy-5-methylphenyl)-2,5-dimethylhexanoic acid?
5-(3-tert-butyl-4-hydroxy-5-methylphenyl)-2,5-dimethylhexanoic acid has a molecular weight of 306.45 g/mol, XLogP of 4.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-tert-butyl-4-hydroxy-5-methylphenyl)-2,5-dimethylhexanoic acid is sourced from PubChem (CID 88714569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).