2-hydroxy-5-[2-(3-methyl-2-propan-2-yloxyphenyl)propan-2-yl]benzoic acid

C20H24O4 — CID 67904091

IUPAC2-hydroxy-5-[2-(3-methyl-2-propan-2-yloxyphenyl)propan-2-yl]benzoic acid
SMILESCc1cccc(C(C)(C)c2ccc(O)c(C(=O)O)c2)c1OC(C)C
InChIInChI=1S/C20H24O4/c1-12(2)24-18-13(3)7-6-8-16(18)20(4,5)14-9-10-17(21)15(11-14)19(22)23/h6-12,21H,1-5H3,(H,22,23)
InChIKeyBQEDMUFSOMUVES-UHFFFAOYSA-N
MW328.41 g/mol
LogP4.51
Rot. Bonds5

About 2-hydroxy-5-[2-(3-methyl-2-propan-2-yloxyphenyl)propan-2-yl]benzoic acid

2-hydroxy-5-[2-(3-methyl-2-propan-2-yloxyphenyl)propan-2-yl]benzoic acid (PubChem CID 67904091) has the molecular formula C20H24O4 and a molecular weight of 328.41 g/mol. Its IUPAC name is 2-hydroxy-5-[2-(3-methyl-2-propan-2-yloxyphenyl)propan-2-yl]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-5-[2-(3-methyl-2-propan-2-yloxyphenyl)propan-2-yl]benzoic acid
PubChem CID67904091
Molecular FormulaC20H24O4
Molecular Weight328.41 g/mol
Exact Mass328.17
IUPAC Name2-hydroxy-5-[2-(3-methyl-2-propan-2-yloxyphenyl)propan-2-yl]benzoic acid
SMILESCc1cccc(C(C)(C)c2ccc(O)c(C(=O)O)c2)c1OC(C)C
InChIInChI=1S/C20H24O4/c1-12(2)24-18-13(3)7-6-8-16(18)20(4,5)14-9-10-17(21)15(11-14)19(22)23/h6-12,21H,1-5H3,(H,22,23)
InChIKeyBQEDMUFSOMUVES-UHFFFAOYSA-N
XLogP4.51
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-5-[4-methyl-2-(4-propan-2-yloxyphenyl)pentan-2-yl]benzoic acid
CID 19105935
2-hydroxy-3,5-bis[2-(2-methylphenyl)propan-2-yl]benzoic acid
CID 70427385
5-[2,6-di(propan-2-yloxy)benzoyl]-2-hydroxybenzoic acid
CID 151104879
2-hydroxybenzoic acid;2-[2-(2-hydroxyphenyl)propan-2-yl]phenol
CID 174517600
4-[2-(4-carboxy-3-methylphenyl)propan-2-yl]-2-methylbenzoic acid
CID 67542151
2-hydroxy-5-[tris(4-propan-2-ylphenyl)methyl]benzoic acid
CID 139751321
2-hydroxy-5-tritylbenzoic acid;zinc
CID 70592363
5-(3-tert-butylphenyl)-2-hydroxybenzoic acid
CID 67567702
2-[2-[3-[2-(2-hydroxy-3-methylphenyl)propan-2-yl]phenyl]propan-2-yl]-6-methylphenol
CID 70521659
2,6-dimethylphenol;4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol
CID 141474948
3-ethynyl-2-propan-2-yloxybenzoic acid
CID 87613067
5-[bis(2,3-dimethylphenyl)methyl]-2-hydroxybenzoic acid
CID 139751283

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-[2-(3-methyl-2-propan-2-yloxyphenyl)propan-2-yl]benzoic acid?
The IUPAC name of 2-hydroxy-5-[2-(3-methyl-2-propan-2-yloxyphenyl)propan-2-yl]benzoic acid (CID 67904091) is 2-hydroxy-5-[2-(3-methyl-2-propan-2-yloxyphenyl)propan-2-yl]benzoic acid.
What is the SMILES notation for 2-hydroxy-5-[2-(3-methyl-2-propan-2-yloxyphenyl)propan-2-yl]benzoic acid?
The canonical SMILES for 2-hydroxy-5-[2-(3-methyl-2-propan-2-yloxyphenyl)propan-2-yl]benzoic acid is Cc1cccc(C(C)(C)c2ccc(O)c(C(=O)O)c2)c1OC(C)C.
What is the InChIKey of 2-hydroxy-5-[2-(3-methyl-2-propan-2-yloxyphenyl)propan-2-yl]benzoic acid?
The InChIKey is BQEDMUFSOMUVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O4/c1-12(2)24-18-13(3)7-6-8-16(18)20(4,5)14-9-10-17(21)15(11-14)19(22)23/h6-12,21H,1-5H3,(H,22,23).
What are the key properties of 2-hydroxy-5-[2-(3-methyl-2-propan-2-yloxyphenyl)propan-2-yl]benzoic acid?
2-hydroxy-5-[2-(3-methyl-2-propan-2-yloxyphenyl)propan-2-yl]benzoic acid has a molecular weight of 328.41 g/mol, XLogP of 4.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-[2-(3-methyl-2-propan-2-yloxyphenyl)propan-2-yl]benzoic acid is sourced from PubChem (CID 67904091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).