4-tert-butylbenzoic acid;2-hydroxybutanedioic acid

C15H20O7 — CID 67739963

IUPAC4-tert-butylbenzoic acid;2-hydroxybutanedioic acid
SMILESCC(C)(C)c1ccc(C(=O)O)cc1.O=C(O)CC(O)C(=O)O
InChIInChI=1S/C11H14O2.C4H6O5/c1-11(2,3)9-6-4-8(5-7-9)10(12)13;5-2(4(8)9)1-3(6)7/h4-7H,1-3H3,(H,12,13);2,5H,1H2,(H,6,7)(H,8,9)
InChIKeyOYPMQRWHIKNXLQ-UHFFFAOYSA-N
MW312.32 g/mol
LogP1.59
Rot. Bonds4

About 4-tert-butylbenzoic acid;2-hydroxybutanedioic acid

4-tert-butylbenzoic acid;2-hydroxybutanedioic acid (PubChem CID 67739963) has the molecular formula C15H20O7 and a molecular weight of 312.32 g/mol. Its IUPAC name is 4-tert-butylbenzoic acid;2-hydroxybutanedioic acid.

Molecular Properties

Compound Name4-tert-butylbenzoic acid;2-hydroxybutanedioic acid
PubChem CID67739963
Molecular FormulaC15H20O7
Molecular Weight312.32 g/mol
Exact Mass312.12
IUPAC Name4-tert-butylbenzoic acid;2-hydroxybutanedioic acid
SMILESCC(C)(C)c1ccc(C(=O)O)cc1.O=C(O)CC(O)C(=O)O
InChIInChI=1S/C11H14O2.C4H6O5/c1-11(2,3)9-6-4-8(5-7-9)10(12)13;5-2(4(8)9)1-3(6)7/h4-7H,1-3H3,(H,12,13);2,5H,1H2,(H,6,7)(H,8,9)
InChIKeyOYPMQRWHIKNXLQ-UHFFFAOYSA-N
XLogP1.59
TPSA132.13 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 51.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butylbenzoic acid;copper
CID 67780260
CID 67550053
CID 67550053
copper 4-tert-butylbenzoic acid
CID 54604773
CID 175176965
CID 175176965
3-[(4-tert-butylbenzoyl)amino]butanoic acid
CID 18370033
4-tert-butylbenzoic acid;tetrabutylazanium
CID 66598931
4-[2-(4-tert-butylphenyl)-1-carboxyethyl]benzoic acid
CID 82140106
methanol;4-[2,4,6-tris(4-tert-butylphenyl)-3,5-bis(4-carboxyphenyl)phenyl]benzoic acid
CID 139147300
butanedioic acid;2-hydroxypropanoic acid;terephthalic acid
CID 174890321
acetic acid;copper;2-hydroxybutanedioic acid
CID 175107089
3-(4-tert-butylphenyl)-3-chloropropanoic acid
CID 82366777
ethane-1,1-diol;terephthalic acid
CID 68971815

Frequently Asked Questions

What is the IUPAC name of 4-tert-butylbenzoic acid;2-hydroxybutanedioic acid?
The IUPAC name of 4-tert-butylbenzoic acid;2-hydroxybutanedioic acid (CID 67739963) is 4-tert-butylbenzoic acid;2-hydroxybutanedioic acid.
What is the SMILES notation for 4-tert-butylbenzoic acid;2-hydroxybutanedioic acid?
The canonical SMILES for 4-tert-butylbenzoic acid;2-hydroxybutanedioic acid is CC(C)(C)c1ccc(C(=O)O)cc1.O=C(O)CC(O)C(=O)O.
What is the InChIKey of 4-tert-butylbenzoic acid;2-hydroxybutanedioic acid?
The InChIKey is OYPMQRWHIKNXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2.C4H6O5/c1-11(2,3)9-6-4-8(5-7-9)10(12)13;5-2(4(8)9)1-3(6)7/h4-7H,1-3H3,(H,12,13);2,5H,1H2,(H,6,7)(H,8,9).
What are the key properties of 4-tert-butylbenzoic acid;2-hydroxybutanedioic acid?
4-tert-butylbenzoic acid;2-hydroxybutanedioic acid has a molecular weight of 312.32 g/mol, XLogP of 1.59, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butylbenzoic acid;2-hydroxybutanedioic acid is sourced from PubChem (CID 67739963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).