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

C16H24O3 — CID 117415645

IUPAC3-(3-tert-butyl-2-hydroxy-5-methylphenyl)-2,2-dimethylpropanoic acid
SMILESCc1cc(CC(C)(C)C(=O)O)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C16H24O3/c1-10-7-11(9-16(5,6)14(18)19)13(17)12(8-10)15(2,3)4/h7-8,17H,9H2,1-6H3,(H,18,19)
InChIKeyKOIMGNXZWMHABU-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.65
Rot. Bonds3

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

3-(3-tert-butyl-2-hydroxy-5-methylphenyl)-2,2-dimethylpropanoic acid (PubChem CID 117415645) has the molecular formula C16H24O3 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-(3-tert-butyl-2-hydroxy-5-methylphenyl)-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-(3-tert-butyl-2-hydroxy-5-methylphenyl)-2,2-dimethylpropanoic acid
PubChem CID117415645
Molecular FormulaC16H24O3
Molecular Weight264.37 g/mol
Exact Mass264.17
IUPAC Name3-(3-tert-butyl-2-hydroxy-5-methylphenyl)-2,2-dimethylpropanoic acid
SMILESCc1cc(CC(C)(C)C(=O)O)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C16H24O3/c1-10-7-11(9-16(5,6)14(18)19)13(17)12(8-10)15(2,3)4/h7-8,17H,9H2,1-6H3,(H,18,19)
InChIKeyKOIMGNXZWMHABU-UHFFFAOYSA-N
XLogP3.65
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-fluoro-2-hydroxy-5-methylphenyl)-2,2-dimethylpropanoic acid
CID 117325436
3-[3-(difluoromethyl)-2-hydroxy-5-methylphenyl]-2,2-dimethylpropanoic acid
CID 117398979
2-(3-tert-butyl-2-hydroxy-5-methylphenyl)acetohydrazide
CID 87214855
2-tert-butyl-6-[3-(3-tert-butyl-2-hydroxy-5-methylphenyl)propyl]-4-methylphenol
CID 24841439
2,2-bis(3-tert-butyl-2-hydroxy-5-methylphenyl)propanoic acid
CID 88656141
2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;carbanide;titanium(2+)
CID 15770367
3-tert-butyl-2-hydroxy-5-methylbenzoic acid
CID 3736139
2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;ethane-1,2-diol
CID 88830075
2-tert-butyl-6-[10-(3-tert-butyl-2-hydroxy-5-methylphenyl)decyl]-4-methylphenol
CID 21053639
3-(2,3-difluoro-5-methylphenyl)-2,2-dimethylpropanoic acid
CID 117328547
2-tert-butyl-6-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-4-methylphenol
CID 3480834
2-tert-butyl-6-[2-(3-tert-butyl-2-hydroxy-5-methylphenyl)ethyl]-4-methylphenol;dichlorotitanium
CID 11027093

Frequently Asked Questions

What is the IUPAC name of 3-(3-tert-butyl-2-hydroxy-5-methylphenyl)-2,2-dimethylpropanoic acid?
The IUPAC name of 3-(3-tert-butyl-2-hydroxy-5-methylphenyl)-2,2-dimethylpropanoic acid (CID 117415645) is 3-(3-tert-butyl-2-hydroxy-5-methylphenyl)-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-(3-tert-butyl-2-hydroxy-5-methylphenyl)-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-(3-tert-butyl-2-hydroxy-5-methylphenyl)-2,2-dimethylpropanoic acid is Cc1cc(CC(C)(C)C(=O)O)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 3-(3-tert-butyl-2-hydroxy-5-methylphenyl)-2,2-dimethylpropanoic acid?
The InChIKey is KOIMGNXZWMHABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-10-7-11(9-16(5,6)14(18)19)13(17)12(8-10)15(2,3)4/h7-8,17H,9H2,1-6H3,(H,18,19).
What are the key properties of 3-(3-tert-butyl-2-hydroxy-5-methylphenyl)-2,2-dimethylpropanoic acid?
3-(3-tert-butyl-2-hydroxy-5-methylphenyl)-2,2-dimethylpropanoic acid has a molecular weight of 264.37 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-tert-butyl-2-hydroxy-5-methylphenyl)-2,2-dimethylpropanoic acid is sourced from PubChem (CID 117415645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).