2-[2-(2-butylphenyl)propan-2-yloxycarbonyl]benzoic acid

C21H24O4 — CID 154356582

IUPAC2-[2-(2-butylphenyl)propan-2-yloxycarbonyl]benzoic acid
SMILESCCCCc1ccccc1C(C)(C)OC(=O)c1ccccc1C(=O)O
InChIInChI=1S/C21H24O4/c1-4-5-10-15-11-6-9-14-18(15)21(2,3)25-20(24)17-13-8-7-12-16(17)19(22)23/h6-9,11-14H,4-5,10H2,1-3H3,(H,22,23)
InChIKeyUZFIXUVSWLNIDX-UHFFFAOYSA-N
MW340.42 g/mol
LogP4.82
Rot. Bonds7

About 2-[2-(2-butylphenyl)propan-2-yloxycarbonyl]benzoic acid

2-[2-(2-butylphenyl)propan-2-yloxycarbonyl]benzoic acid (PubChem CID 154356582) has the molecular formula C21H24O4 and a molecular weight of 340.42 g/mol. Its IUPAC name is 2-[2-(2-butylphenyl)propan-2-yloxycarbonyl]benzoic acid.

Molecular Properties

Compound Name2-[2-(2-butylphenyl)propan-2-yloxycarbonyl]benzoic acid
PubChem CID154356582
Molecular FormulaC21H24O4
Molecular Weight340.42 g/mol
Exact Mass340.17
IUPAC Name2-[2-(2-butylphenyl)propan-2-yloxycarbonyl]benzoic acid
SMILESCCCCc1ccccc1C(C)(C)OC(=O)c1ccccc1C(=O)O
InChIInChI=1S/C21H24O4/c1-4-5-10-15-11-6-9-14-18(15)21(2,3)25-20(24)17-13-8-7-12-16(17)19(22)23/h6-9,11-14H,4-5,10H2,1-3H3,(H,22,23)
InChIKeyUZFIXUVSWLNIDX-UHFFFAOYSA-N
XLogP4.82
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

azane;2-butylbenzoic acid
CID 174819524
2-(9-methylnonadecan-9-yloxycarbonyl)benzoic acid
CID 153324580
4,6-dibutylbenzene-1,3-dicarboxylic acid
CID 139637590
2-butyl-3-[2-[2-(trifluoromethyl)phenyl]ethyl]benzoic acid
CID 151330375
2-(9-hexyloctadecan-9-yloxycarbonyl)benzoic acid
CID 141231360
bis(2-butylbenzoyl) benzene-1,2-dicarboxylate
CID 87505801
2-(3,4,4-triethyloctan-3-yloxycarbonyl)benzoic acid
CID 141029349
2-(5-butylhexadecan-5-yloxycarbonyl)benzoic acid
CID 54297089
2-(2,3-dimethylhexan-3-yloxycarbonyl)benzoic acid
CID 174458904
3-butyl-3-(2-butylphenyl)heptanoic acid
CID 156769670
butyl benzoate;2-butylbenzoic acid
CID 159034222
azane;2-octylbenzoic acid
CID 70171834

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-butylphenyl)propan-2-yloxycarbonyl]benzoic acid?
The IUPAC name of 2-[2-(2-butylphenyl)propan-2-yloxycarbonyl]benzoic acid (CID 154356582) is 2-[2-(2-butylphenyl)propan-2-yloxycarbonyl]benzoic acid.
What is the SMILES notation for 2-[2-(2-butylphenyl)propan-2-yloxycarbonyl]benzoic acid?
The canonical SMILES for 2-[2-(2-butylphenyl)propan-2-yloxycarbonyl]benzoic acid is CCCCc1ccccc1C(C)(C)OC(=O)c1ccccc1C(=O)O.
What is the InChIKey of 2-[2-(2-butylphenyl)propan-2-yloxycarbonyl]benzoic acid?
The InChIKey is UZFIXUVSWLNIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O4/c1-4-5-10-15-11-6-9-14-18(15)21(2,3)25-20(24)17-13-8-7-12-16(17)19(22)23/h6-9,11-14H,4-5,10H2,1-3H3,(H,22,23).
What are the key properties of 2-[2-(2-butylphenyl)propan-2-yloxycarbonyl]benzoic acid?
2-[2-(2-butylphenyl)propan-2-yloxycarbonyl]benzoic acid has a molecular weight of 340.42 g/mol, XLogP of 4.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-butylphenyl)propan-2-yloxycarbonyl]benzoic acid is sourced from PubChem (CID 154356582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).