5-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonyl]benzoic acid

C12H14O5 — CID 53423671

IUPAC5-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonyl]benzoic acid
SMILESCC(C)(C)OC(=O)c1ccc(O)cc1C(=O)O
InChIInChI=1S/C12H14O5/c1-12(2,3)17-11(16)8-5-4-7(13)6-9(8)10(14)15/h4-6,13H,1-3H3,(H,14,15)
InChIKeyLPURFGWRNMXTLJ-UHFFFAOYSA-N
MW238.24 g/mol
LogP2.05
Rot. Bonds2

About 5-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonyl]benzoic acid

5-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonyl]benzoic acid (PubChem CID 53423671) has the molecular formula C12H14O5 and a molecular weight of 238.24 g/mol. Its IUPAC name is 5-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonyl]benzoic acid.

Molecular Properties

Compound Name5-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonyl]benzoic acid
PubChem CID53423671
Molecular FormulaC12H14O5
Molecular Weight238.24 g/mol
Exact Mass238.08
IUPAC Name5-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonyl]benzoic acid
SMILESCC(C)(C)OC(=O)c1ccc(O)cc1C(=O)O
InChIInChI=1S/C12H14O5/c1-12(2,3)17-11(16)8-5-4-7(13)6-9(8)10(14)15/h4-6,13H,1-3H3,(H,14,15)
InChIKeyLPURFGWRNMXTLJ-UHFFFAOYSA-N
XLogP2.05
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonyl]benzoic acid
CID 69124474
tert-butyl 2-amino-5-hydroxybenzoate
CID 61405747
4,5-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]benzoic acid
CID 69126225
4-hydroxyphthalic acid;hydrate
CID 171991193
4,5-dibromo-2-[(2-methylpropan-2-yl)oxycarbonyl]benzoic acid;ethane
CID 69126153
3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]benzoic acid
CID 89444800
ditert-butyl 4-sulfanylbenzene-1,2-dicarboxylate
CID 138570997
ditert-butyl 4-[3,4-bis[(2-methylpropan-2-yl)oxycarbonyl]phenoxy]benzene-1,2-dicarboxylate
CID 100990281
5-hydroxy-2-phenylmethoxycarbonylbenzoic acid
CID 70424833
2-[2-carboxy-6-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]peroxybenzene-1,3-dicarboxylic acid
CID 54118881
2-chloro-5-[(2-methylpropan-2-yl)oxycarbonyl]pyridine-4-carboxylic acid
CID 52987939
ditert-butyl 2-methylbenzene-1,4-dicarboxylate
CID 175662987

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonyl]benzoic acid?
The IUPAC name of 5-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonyl]benzoic acid (CID 53423671) is 5-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonyl]benzoic acid.
What is the SMILES notation for 5-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonyl]benzoic acid?
The canonical SMILES for 5-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonyl]benzoic acid is CC(C)(C)OC(=O)c1ccc(O)cc1C(=O)O.
What is the InChIKey of 5-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonyl]benzoic acid?
The InChIKey is LPURFGWRNMXTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O5/c1-12(2,3)17-11(16)8-5-4-7(13)6-9(8)10(14)15/h4-6,13H,1-3H3,(H,14,15).
What are the key properties of 5-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonyl]benzoic acid?
5-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonyl]benzoic acid has a molecular weight of 238.24 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonyl]benzoic acid is sourced from PubChem (CID 53423671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).