2-(4-fluoro-3-hydroxyphenyl)propan-2-yl 4-butan-2-ylbenzoate

C20H23FO3 — CID 170374088

IUPAC2-(4-fluoro-3-hydroxyphenyl)propan-2-yl 4-butan-2-ylbenzoate
SMILESCCC(C)c1ccc(C(=O)OC(C)(C)c2ccc(F)c(O)c2)cc1
InChIInChI=1S/C20H23FO3/c1-5-13(2)14-6-8-15(9-7-14)19(23)24-20(3,4)16-10-11-17(21)18(22)12-16/h6-13,22H,5H2,1-4H3
InChIKeyJABJRISHCYLOQU-UHFFFAOYSA-N
MW330.40 g/mol
LogP5.14
Rot. Bonds5

About 2-(4-fluoro-3-hydroxyphenyl)propan-2-yl 4-butan-2-ylbenzoate

2-(4-fluoro-3-hydroxyphenyl)propan-2-yl 4-butan-2-ylbenzoate (PubChem CID 170374088) has the molecular formula C20H23FO3 and a molecular weight of 330.40 g/mol. Its IUPAC name is 2-(4-fluoro-3-hydroxyphenyl)propan-2-yl 4-butan-2-ylbenzoate.

Molecular Properties

Compound Name2-(4-fluoro-3-hydroxyphenyl)propan-2-yl 4-butan-2-ylbenzoate
PubChem CID170374088
Molecular FormulaC20H23FO3
Molecular Weight330.40 g/mol
Exact Mass330.16
IUPAC Name2-(4-fluoro-3-hydroxyphenyl)propan-2-yl 4-butan-2-ylbenzoate
SMILESCCC(C)c1ccc(C(=O)OC(C)(C)c2ccc(F)c(O)c2)cc1
InChIInChI=1S/C20H23FO3/c1-5-13(2)14-6-8-15(9-7-14)19(23)24-20(3,4)16-10-11-17(21)18(22)12-16/h6-13,22H,5H2,1-4H3
InChIKeyJABJRISHCYLOQU-UHFFFAOYSA-N
XLogP5.14
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.40
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentylpropan-2-yl 4-butan-2-ylbenzoate
CID 59409193
amino 4-butan-2-ylbenzoate
CID 89484351
3-(4-butan-2-ylphenyl)-4-fluorobenzoic acid
CID 107957661
3-(4-butan-2-ylphenyl)-3,3-difluoropropanoic acid
CID 116838338
(4-butan-2-ylphenyl)-(3-chloro-4-fluorophenyl)methanone
CID 82874721
4-butan-2-ylbenzohydrazide
CID 83386529
(3-bromo-4-fluorophenyl)-(4-butan-2-ylphenyl)methanone
CID 107949643
2-methylbutan-2-yl 6-butan-2-ylnaphthalene-2-carboxylate
CID 170192932
[2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-yl] tert-butyl carbonate
CID 23533183
2-(4-butan-2-ylbenzoyl)oxy-1,1-difluoropropane-1-sulfonic acid
CID 58364088
2-hydroxyethyl 4-butan-2-ylbenzoate
CID 116862879
4-butan-2-yl-N-(trifluoromethylsulfonyl)benzamide
CID 135209714

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-3-hydroxyphenyl)propan-2-yl 4-butan-2-ylbenzoate?
The IUPAC name of 2-(4-fluoro-3-hydroxyphenyl)propan-2-yl 4-butan-2-ylbenzoate (CID 170374088) is 2-(4-fluoro-3-hydroxyphenyl)propan-2-yl 4-butan-2-ylbenzoate.
What is the SMILES notation for 2-(4-fluoro-3-hydroxyphenyl)propan-2-yl 4-butan-2-ylbenzoate?
The canonical SMILES for 2-(4-fluoro-3-hydroxyphenyl)propan-2-yl 4-butan-2-ylbenzoate is CCC(C)c1ccc(C(=O)OC(C)(C)c2ccc(F)c(O)c2)cc1.
What is the InChIKey of 2-(4-fluoro-3-hydroxyphenyl)propan-2-yl 4-butan-2-ylbenzoate?
The InChIKey is JABJRISHCYLOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FO3/c1-5-13(2)14-6-8-15(9-7-14)19(23)24-20(3,4)16-10-11-17(21)18(22)12-16/h6-13,22H,5H2,1-4H3.
What are the key properties of 2-(4-fluoro-3-hydroxyphenyl)propan-2-yl 4-butan-2-ylbenzoate?
2-(4-fluoro-3-hydroxyphenyl)propan-2-yl 4-butan-2-ylbenzoate has a molecular weight of 330.40 g/mol, XLogP of 5.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-3-hydroxyphenyl)propan-2-yl 4-butan-2-ylbenzoate is sourced from PubChem (CID 170374088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).