2-(5-tert-butyl-3-chloro-2-hydroxyphenyl)acetic acid

C12H15ClO3 — CID 83899432

IUPAC2-(5-tert-butyl-3-chloro-2-hydroxyphenyl)acetic acid
SMILESCC(C)(C)c1cc(Cl)c(O)c(CC(=O)O)c1
InChIInChI=1S/C12H15ClO3/c1-12(2,3)8-4-7(5-10(14)15)11(16)9(13)6-8/h4,6,16H,5H2,1-3H3,(H,14,15)
InChIKeyZYOROVBRXNLFQM-UHFFFAOYSA-N
MW242.70 g/mol
LogP2.97
Rot. Bonds2

About 2-(5-tert-butyl-3-chloro-2-hydroxyphenyl)acetic acid

2-(5-tert-butyl-3-chloro-2-hydroxyphenyl)acetic acid (PubChem CID 83899432) has the molecular formula C12H15ClO3 and a molecular weight of 242.70 g/mol. Its IUPAC name is 2-(5-tert-butyl-3-chloro-2-hydroxyphenyl)acetic acid.

Molecular Properties

Compound Name2-(5-tert-butyl-3-chloro-2-hydroxyphenyl)acetic acid
PubChem CID83899432
Molecular FormulaC12H15ClO3
Molecular Weight242.70 g/mol
Exact Mass242.07
IUPAC Name2-(5-tert-butyl-3-chloro-2-hydroxyphenyl)acetic acid
SMILESCC(C)(C)c1cc(Cl)c(O)c(CC(=O)O)c1
InChIInChI=1S/C12H15ClO3/c1-12(2,3)8-4-7(5-10(14)15)11(16)9(13)6-8/h4,6,16H,5H2,1-3H3,(H,14,15)
InChIKeyZYOROVBRXNLFQM-UHFFFAOYSA-N
XLogP2.97
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.70
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-tert-butyl-2,3-dihydroxyphenyl)acetic acid
CID 117321860
2-(3,5-dichloro-2-hydroxyphenyl)acetic acid
CID 70463293
(5-tert-butyl-3-chloro-2-hydroxyphenyl)methylsulfamic acid
CID 21314642
2-(3-aminopropyl)-4-tert-butyl-6-chlorophenol
CID 12868880
3-(5-tert-butyl-3-chloro-2-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 170881306
4,4-bis(3-chloro-4-hydroxy-5-methylphenyl)pentanoic acid
CID 154090179
2-[2-chloro-4-(1,1-difluoroethyl)phenyl]acetic acid
CID 84698117
2-[(4-aminopyridin-1-ium-1-yl)methyl]-4-tert-butyl-6-chlorophenol chloride
CID 12761805
3-[3-chloro-2-hydroxy-5-(trifluoromethyl)phenyl]-3-methylbutanoic acid
CID 117477877
2-[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]but-2-enoic acid
CID 174910765
2-(5-bromo-3-tert-butyl-2-hydroxyphenyl)acetic acid
CID 117463139
4-tert-butyl-2-chloro-6-nitrophenol
CID 26749

Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyl-3-chloro-2-hydroxyphenyl)acetic acid?
The IUPAC name of 2-(5-tert-butyl-3-chloro-2-hydroxyphenyl)acetic acid (CID 83899432) is 2-(5-tert-butyl-3-chloro-2-hydroxyphenyl)acetic acid.
What is the SMILES notation for 2-(5-tert-butyl-3-chloro-2-hydroxyphenyl)acetic acid?
The canonical SMILES for 2-(5-tert-butyl-3-chloro-2-hydroxyphenyl)acetic acid is CC(C)(C)c1cc(Cl)c(O)c(CC(=O)O)c1.
What is the InChIKey of 2-(5-tert-butyl-3-chloro-2-hydroxyphenyl)acetic acid?
The InChIKey is ZYOROVBRXNLFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO3/c1-12(2,3)8-4-7(5-10(14)15)11(16)9(13)6-8/h4,6,16H,5H2,1-3H3,(H,14,15).
What are the key properties of 2-(5-tert-butyl-3-chloro-2-hydroxyphenyl)acetic acid?
2-(5-tert-butyl-3-chloro-2-hydroxyphenyl)acetic acid has a molecular weight of 242.70 g/mol, XLogP of 2.97, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butyl-3-chloro-2-hydroxyphenyl)acetic acid is sourced from PubChem (CID 83899432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).