benzyl 4-hydroxy-2-(trifluoromethyl)benzoate

C15H11F3O3 — CID 66761869

IUPACbenzyl 4-hydroxy-2-(trifluoromethyl)benzoate
SMILESO=C(OCc1ccccc1)c1ccc(O)cc1C(F)(F)F
InChIInChI=1S/C15H11F3O3/c16-15(17,18)13-8-11(19)6-7-12(13)14(20)21-9-10-4-2-1-3-5-10/h1-8,19H,9H2
InChIKeyIZZMGRSYUSNZKB-UHFFFAOYSA-N
MW296.24 g/mol
LogP3.77
Rot. Bonds3

About benzyl 4-hydroxy-2-(trifluoromethyl)benzoate

benzyl 4-hydroxy-2-(trifluoromethyl)benzoate (PubChem CID 66761869) has the molecular formula C15H11F3O3 and a molecular weight of 296.24 g/mol. Its IUPAC name is benzyl 4-hydroxy-2-(trifluoromethyl)benzoate.

Molecular Properties

Compound Namebenzyl 4-hydroxy-2-(trifluoromethyl)benzoate
PubChem CID66761869
Molecular FormulaC15H11F3O3
Molecular Weight296.24 g/mol
Exact Mass296.07
IUPAC Namebenzyl 4-hydroxy-2-(trifluoromethyl)benzoate
SMILESO=C(OCc1ccccc1)c1ccc(O)cc1C(F)(F)F
InChIInChI=1S/C15H11F3O3/c16-15(17,18)13-8-11(19)6-7-12(13)14(20)21-9-10-4-2-1-3-5-10/h1-8,19H,9H2
InChIKeyIZZMGRSYUSNZKB-UHFFFAOYSA-N
XLogP3.77
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.24
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-hydroxy-2-phenylmethoxycarbonylbenzoic acid
CID 70424833
benzyl 5-(dimethylamino)-2-[4-(dimethylamino)-2-phenylmethoxycarbonyl-6-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzoate
CID 134420146
benzyl 2-hydroxybenzoate;benzyl 3-hydroxy-2-(trifluoromethyl)benzoate
CID 158703546
benzyl 3-bromo-4-(trifluoromethyl)benzoate
CID 155289043
2-amino-1-[4-hydroxy-2-(trifluoromethyl)phenyl]ethanone
CID 84684327
2-phenylmethoxycarbonylterephthalic acid
CID 69248635
4-phenylmethoxy-2-(trifluoromethyl)benzoic acid;hydrochloride
CID 67852873
benzyl 5-(methanesulfonamido)-2-(trifluoromethyl)benzoate
CID 86720502
(4-nitrophenyl)methyl 2-(trifluoromethyl)benzoate
CID 2363210
dibenzyl 4-bromobenzene-1,2-dicarboxylate
CID 23134371
benzyl 2-fluoro-3-hydroxybenzoate
CID 561298
benzyl 2,5-bis(2,2,2-trifluoroethoxy)benzoate
CID 23390398

Frequently Asked Questions

What is the IUPAC name of benzyl 4-hydroxy-2-(trifluoromethyl)benzoate?
The IUPAC name of benzyl 4-hydroxy-2-(trifluoromethyl)benzoate (CID 66761869) is benzyl 4-hydroxy-2-(trifluoromethyl)benzoate.
What is the SMILES notation for benzyl 4-hydroxy-2-(trifluoromethyl)benzoate?
The canonical SMILES for benzyl 4-hydroxy-2-(trifluoromethyl)benzoate is O=C(OCc1ccccc1)c1ccc(O)cc1C(F)(F)F.
What is the InChIKey of benzyl 4-hydroxy-2-(trifluoromethyl)benzoate?
The InChIKey is IZZMGRSYUSNZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3O3/c16-15(17,18)13-8-11(19)6-7-12(13)14(20)21-9-10-4-2-1-3-5-10/h1-8,19H,9H2.
What are the key properties of benzyl 4-hydroxy-2-(trifluoromethyl)benzoate?
benzyl 4-hydroxy-2-(trifluoromethyl)benzoate has a molecular weight of 296.24 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-hydroxy-2-(trifluoromethyl)benzoate is sourced from PubChem (CID 66761869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).