[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-hydroxyphenyl]-(4-hydroxyphenyl)methanone

C16H10F6O4 — CID 126487220

IUPAC[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-hydroxyphenyl]-(4-hydroxyphenyl)methanone
SMILESO=C(c1ccc(O)cc1)c1ccc(O)c(C(O)(C(F)(F)F)C(F)(F)F)c1
InChIInChI=1S/C16H10F6O4/c17-15(18,19)14(26,16(20,21)22)11-7-9(3-6-12(11)24)13(25)8-1-4-10(23)5-2-8/h1-7,23-24,26H
InChIKeyOICDYGVHFILTEZ-UHFFFAOYSA-N
MW380.24 g/mol
LogP3.64
Rot. Bonds3

About [3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-hydroxyphenyl]-(4-hydroxyphenyl)methanone

[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-hydroxyphenyl]-(4-hydroxyphenyl)methanone (PubChem CID 126487220) has the molecular formula C16H10F6O4 and a molecular weight of 380.24 g/mol. Its IUPAC name is [3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-hydroxyphenyl]-(4-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-hydroxyphenyl]-(4-hydroxyphenyl)methanone
PubChem CID126487220
Molecular FormulaC16H10F6O4
Molecular Weight380.24 g/mol
Exact Mass380.05
IUPAC Name[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-hydroxyphenyl]-(4-hydroxyphenyl)methanone
SMILESO=C(c1ccc(O)cc1)c1ccc(O)c(C(O)(C(F)(F)F)C(F)(F)F)c1
InChIInChI=1S/C16H10F6O4/c17-15(18,19)14(26,16(20,21)22)11-7-9(3-6-12(11)24)13(25)8-1-4-10(23)5-2-8/h1-7,23-24,26H
InChIKeyOICDYGVHFILTEZ-UHFFFAOYSA-N
XLogP3.64
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.24
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze [3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-hydroxyphenyl]-(4-hydroxyphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-hydroxyphenyl]-(4-hydroxyphenyl)methanone?
The IUPAC name of [3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-hydroxyphenyl]-(4-hydroxyphenyl)methanone (CID 126487220) is [3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-hydroxyphenyl]-(4-hydroxyphenyl)methanone.
What is the SMILES notation for [3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-hydroxyphenyl]-(4-hydroxyphenyl)methanone?
The canonical SMILES for [3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-hydroxyphenyl]-(4-hydroxyphenyl)methanone is O=C(c1ccc(O)cc1)c1ccc(O)c(C(O)(C(F)(F)F)C(F)(F)F)c1.
What is the InChIKey of [3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-hydroxyphenyl]-(4-hydroxyphenyl)methanone?
The InChIKey is OICDYGVHFILTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F6O4/c17-15(18,19)14(26,16(20,21)22)11-7-9(3-6-12(11)24)13(25)8-1-4-10(23)5-2-8/h1-7,23-24,26H.
What are the key properties of [3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-hydroxyphenyl]-(4-hydroxyphenyl)methanone?
[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-hydroxyphenyl]-(4-hydroxyphenyl)methanone has a molecular weight of 380.24 g/mol, XLogP of 3.64, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-hydroxyphenyl]-(4-hydroxyphenyl)methanone is sourced from PubChem (CID 126487220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).