2-hydroxy-5-[4-methyl-2-(4-propan-2-yloxyphenyl)pentan-2-yl]benzoic acid

C22H28O4 — CID 19105935

IUPAC2-hydroxy-5-[4-methyl-2-(4-propan-2-yloxyphenyl)pentan-2-yl]benzoic acid
SMILESCC(C)CC(C)(c1ccc(OC(C)C)cc1)c1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C22H28O4/c1-14(2)13-22(5,16-6-9-18(10-7-16)26-15(3)4)17-8-11-20(23)19(12-17)21(24)25/h6-12,14-15,23H,13H2,1-5H3,(H,24,25)
InChIKeyAXBUTFFSFMJHSQ-UHFFFAOYSA-N
MW356.46 g/mol
LogP5.23
Rot. Bonds7

About 2-hydroxy-5-[4-methyl-2-(4-propan-2-yloxyphenyl)pentan-2-yl]benzoic acid

2-hydroxy-5-[4-methyl-2-(4-propan-2-yloxyphenyl)pentan-2-yl]benzoic acid (PubChem CID 19105935) has the molecular formula C22H28O4 and a molecular weight of 356.46 g/mol. Its IUPAC name is 2-hydroxy-5-[4-methyl-2-(4-propan-2-yloxyphenyl)pentan-2-yl]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-5-[4-methyl-2-(4-propan-2-yloxyphenyl)pentan-2-yl]benzoic acid
PubChem CID19105935
Molecular FormulaC22H28O4
Molecular Weight356.46 g/mol
Exact Mass356.20
IUPAC Name2-hydroxy-5-[4-methyl-2-(4-propan-2-yloxyphenyl)pentan-2-yl]benzoic acid
SMILESCC(C)CC(C)(c1ccc(OC(C)C)cc1)c1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C22H28O4/c1-14(2)13-22(5,16-6-9-18(10-7-16)26-15(3)4)17-8-11-20(23)19(12-17)21(24)25/h6-12,14-15,23H,13H2,1-5H3,(H,24,25)
InChIKeyAXBUTFFSFMJHSQ-UHFFFAOYSA-N
XLogP5.23
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.46
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-[2-(3-acetamido-4-hydroxyphenyl)-4-methylpentan-2-yl]-2-hydroxyphenyl]acetamide
CID 139610538
2-hydroxy-5-[2-(3-methyl-2-propan-2-yloxyphenyl)propan-2-yl]benzoic acid
CID 67904091
2-amino-2-(4-propan-2-yloxyphenyl)propanoic acid
CID 24692906
propan-2-yl 2-hydroxy-5-propan-2-yloxybenzoate
CID 82553050
2-hydroxy-5-[tris(4-propan-2-ylphenyl)methyl]benzoic acid
CID 139751321
3-hydroxy-2,2-dimethyl-3-(4-propan-2-yloxyphenyl)butanoic acid
CID 55071473
2-chloro-7λ6-thiabicyclo[2.2.1]hepta-1,3,5-triene 7,7-dioxide;2-hydroxy-5-[2-(4-propoxyphenyl)butan-2-yl]benzoic acid
CID 19106214
2-(4-propan-2-yloxyphenoxy)terephthalic acid
CID 19865536
4-[2-(4-propan-2-yloxyphenyl)propan-2-yl]phenol
CID 21466220
2-hydroxy-5-[2-(2,2,4-trimethylpentanoylamino)ethylcarbamoylamino]benzoic acid
CID 143924829
2-hydroxy-5-[1-[3-[(2-methylpropan-2-yl)oxy]phenoxy]propoxy]benzoic acid
CID 19105980
3-(4-propan-2-yloxyphenyl)-3-pyrrolidin-1-ylbutanoic acid
CID 64526180

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-[4-methyl-2-(4-propan-2-yloxyphenyl)pentan-2-yl]benzoic acid?
The IUPAC name of 2-hydroxy-5-[4-methyl-2-(4-propan-2-yloxyphenyl)pentan-2-yl]benzoic acid (CID 19105935) is 2-hydroxy-5-[4-methyl-2-(4-propan-2-yloxyphenyl)pentan-2-yl]benzoic acid.
What is the SMILES notation for 2-hydroxy-5-[4-methyl-2-(4-propan-2-yloxyphenyl)pentan-2-yl]benzoic acid?
The canonical SMILES for 2-hydroxy-5-[4-methyl-2-(4-propan-2-yloxyphenyl)pentan-2-yl]benzoic acid is CC(C)CC(C)(c1ccc(OC(C)C)cc1)c1ccc(O)c(C(=O)O)c1.
What is the InChIKey of 2-hydroxy-5-[4-methyl-2-(4-propan-2-yloxyphenyl)pentan-2-yl]benzoic acid?
The InChIKey is AXBUTFFSFMJHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28O4/c1-14(2)13-22(5,16-6-9-18(10-7-16)26-15(3)4)17-8-11-20(23)19(12-17)21(24)25/h6-12,14-15,23H,13H2,1-5H3,(H,24,25).
What are the key properties of 2-hydroxy-5-[4-methyl-2-(4-propan-2-yloxyphenyl)pentan-2-yl]benzoic acid?
2-hydroxy-5-[4-methyl-2-(4-propan-2-yloxyphenyl)pentan-2-yl]benzoic acid has a molecular weight of 356.46 g/mol, XLogP of 5.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-[4-methyl-2-(4-propan-2-yloxyphenyl)pentan-2-yl]benzoic acid is sourced from PubChem (CID 19105935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).