2-[4-(2-hydroxyphenyl)phenyl]-3-phenyl-4-(trifluoromethyl)phenol;2-(oxiran-2-ylmethoxymethyl)oxirane

C31H27F3O5 — CID 175012278

IUPAC2-[4-(2-hydroxyphenyl)phenyl]-3-phenyl-4-(trifluoromethyl)phenol;2-(oxiran-2-ylmethoxymethyl)oxirane
SMILESC(OCC1CO1)C1CO1.Oc1ccccc1-c1ccc(-c2c(O)ccc(C(F)(F)F)c2-c2ccccc2)cc1
InChIInChI=1S/C25H17F3O2.C6H10O3/c26-25(27,28)20-14-15-22(30)24(23(20)17-6-2-1-3-7-17)18-12-10-16(11-13-18)19-8-4-5-9-21(19)29;1(5-3-8-5)7-2-6-4-9-6/h1-15,29-30H;5-6H,1-4H2
InChIKeyGZGPDMMHWCPXFK-UHFFFAOYSA-N
MW536.55 g/mol
LogP6.92
Rot. Bonds7

About 2-[4-(2-hydroxyphenyl)phenyl]-3-phenyl-4-(trifluoromethyl)phenol;2-(oxiran-2-ylmethoxymethyl)oxirane

2-[4-(2-hydroxyphenyl)phenyl]-3-phenyl-4-(trifluoromethyl)phenol;2-(oxiran-2-ylmethoxymethyl)oxirane (PubChem CID 175012278) has the molecular formula C31H27F3O5 and a molecular weight of 536.55 g/mol. Its IUPAC name is 2-[4-(2-hydroxyphenyl)phenyl]-3-phenyl-4-(trifluoromethyl)phenol;2-(oxiran-2-ylmethoxymethyl)oxirane.

Molecular Properties

Compound Name2-[4-(2-hydroxyphenyl)phenyl]-3-phenyl-4-(trifluoromethyl)phenol;2-(oxiran-2-ylmethoxymethyl)oxirane
PubChem CID175012278
Molecular FormulaC31H27F3O5
Molecular Weight536.55 g/mol
Exact Mass536.18
IUPAC Name2-[4-(2-hydroxyphenyl)phenyl]-3-phenyl-4-(trifluoromethyl)phenol;2-(oxiran-2-ylmethoxymethyl)oxirane
SMILESC(OCC1CO1)C1CO1.Oc1ccccc1-c1ccc(-c2c(O)ccc(C(F)(F)F)c2-c2ccccc2)cc1
InChIInChI=1S/C25H17F3O2.C6H10O3/c26-25(27,28)20-14-15-22(30)24(23(20)17-6-2-1-3-7-17)18-12-10-16(11-13-18)19-8-4-5-9-21(19)29;1(5-3-8-5)7-2-6-4-9-6/h1-15,29-30H;5-6H,1-4H2
InChIKeyGZGPDMMHWCPXFK-UHFFFAOYSA-N
XLogP6.92
TPSA74.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.55
LogP ≤ 56.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-(oxiran-2-ylmethoxymethyl)oxirane;2,3,4,5-tetratert-butyl-6-(2-hydroxyphenyl)phenol
CID 174988323
2-(oxiran-2-ylmethoxymethyl)oxirane;3-phenylphenol
CID 86652086
benzene;2,3-dimethylphenol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 174448667
oxirane;2-(oxiran-2-ylmethoxymethyl)oxirane;phenol
CID 87608532
4-(oxiran-2-ylmethyl)-2-phenylbenzene-1,3-diol
CID 151193799
2-(2-hydroxyphenyl)-3,3,5,5-tetramethylcyclohexen-1-ol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 175107460
2-(oxiran-2-ylmethoxymethyl)oxirane;2-[2,2,2-tris(2-hydroxyphenyl)ethyl]phenol
CID 155195839
2-[12-(2-phenylphenoxy)dodecoxymethyl]oxirane
CID 175143054
9H-fluorene;2-methylphenol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 174796639
bis(benzene-1,4-diol);2-(oxiran-2-ylmethoxymethyl)oxirane
CID 158653156
2-(oxiran-2-ylmethyl)-3-phenylphenol
CID 174834260
4-(4-hydroxy-2,3-dimethylphenyl)-2,3-dimethylphenol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 146291909

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxyphenyl)phenyl]-3-phenyl-4-(trifluoromethyl)phenol;2-(oxiran-2-ylmethoxymethyl)oxirane?
The IUPAC name of 2-[4-(2-hydroxyphenyl)phenyl]-3-phenyl-4-(trifluoromethyl)phenol;2-(oxiran-2-ylmethoxymethyl)oxirane (CID 175012278) is 2-[4-(2-hydroxyphenyl)phenyl]-3-phenyl-4-(trifluoromethyl)phenol;2-(oxiran-2-ylmethoxymethyl)oxirane.
What is the SMILES notation for 2-[4-(2-hydroxyphenyl)phenyl]-3-phenyl-4-(trifluoromethyl)phenol;2-(oxiran-2-ylmethoxymethyl)oxirane?
The canonical SMILES for 2-[4-(2-hydroxyphenyl)phenyl]-3-phenyl-4-(trifluoromethyl)phenol;2-(oxiran-2-ylmethoxymethyl)oxirane is C(OCC1CO1)C1CO1.Oc1ccccc1-c1ccc(-c2c(O)ccc(C(F)(F)F)c2-c2ccccc2)cc1.
What is the InChIKey of 2-[4-(2-hydroxyphenyl)phenyl]-3-phenyl-4-(trifluoromethyl)phenol;2-(oxiran-2-ylmethoxymethyl)oxirane?
The InChIKey is GZGPDMMHWCPXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17F3O2.C6H10O3/c26-25(27,28)20-14-15-22(30)24(23(20)17-6-2-1-3-7-17)18-12-10-16(11-13-18)19-8-4-5-9-21(19)29;1(5-3-8-5)7-2-6-4-9-6/h1-15,29-30H;5-6H,1-4H2.
What are the key properties of 2-[4-(2-hydroxyphenyl)phenyl]-3-phenyl-4-(trifluoromethyl)phenol;2-(oxiran-2-ylmethoxymethyl)oxirane?
2-[4-(2-hydroxyphenyl)phenyl]-3-phenyl-4-(trifluoromethyl)phenol;2-(oxiran-2-ylmethoxymethyl)oxirane has a molecular weight of 536.55 g/mol, XLogP of 6.92, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxyphenyl)phenyl]-3-phenyl-4-(trifluoromethyl)phenol;2-(oxiran-2-ylmethoxymethyl)oxirane is sourced from PubChem (CID 175012278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).