(2-hydroxyphenyl)-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]methanone

C16H12F4O3 — CID 150510109

IUPAC(2-hydroxyphenyl)-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]methanone
SMILESO=C(c1ccc(OCC(F)(F)C(F)F)cc1)c1ccccc1O
InChIInChI=1S/C16H12F4O3/c17-15(18)16(19,20)9-23-11-7-5-10(6-8-11)14(22)12-3-1-2-4-13(12)21/h1-8,15,21H,9H2
InChIKeyHZQLEGACOJZWKU-UHFFFAOYSA-N
MW328.26 g/mol
LogP3.90
Rot. Bonds6

About (2-hydroxyphenyl)-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]methanone

(2-hydroxyphenyl)-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]methanone (PubChem CID 150510109) has the molecular formula C16H12F4O3 and a molecular weight of 328.26 g/mol. Its IUPAC name is (2-hydroxyphenyl)-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]methanone.

Molecular Properties

Compound Name(2-hydroxyphenyl)-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]methanone
PubChem CID150510109
Molecular FormulaC16H12F4O3
Molecular Weight328.26 g/mol
Exact Mass328.07
IUPAC Name(2-hydroxyphenyl)-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]methanone
SMILESO=C(c1ccc(OCC(F)(F)C(F)F)cc1)c1ccccc1O
InChIInChI=1S/C16H12F4O3/c17-15(18)16(19,20)9-23-11-7-5-10(6-8-11)14(22)12-3-1-2-4-13(12)21/h1-8,15,21H,9H2
InChIKeyHZQLEGACOJZWKU-UHFFFAOYSA-N
XLogP3.90
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.26
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2,2,3,3-tetrafluoropropoxy)benzoyl chloride
CID 12644770
[9-ethyl-6-[2-(2,2,3,3-tetrafluoropropoxy)benzoyl]carbazol-3-yl]-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]methanone
CID 155432543
[4-(2-hydroxyethoxy)phenyl]-(2-hydroxyphenyl)methanone
CID 139738783
(9-ethylcarbazol-3-yl)-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]methanone
CID 155432884
2-hydroxy-N-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]benzamide
CID 30206059
5-(2,2,3,3-tetrafluoropropoxy)pyridine-2-carbonyl chloride
CID 121268116
4-[2-(2,2,3,3-tetrafluoropropoxy)ethoxy]benzoic acid
CID 43532345
2-(2,2,3,3-tetrafluoropropoxy)anthracene-9,10-dione
CID 21180057
[8-ethyl-6-[4-(2,2,3,3-tetrafluoropropoxy)benzoyl]-9H-carbazol-3-yl]-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]methanone
CID 172755055
ethyl 2-(2,2,3,3-tetrafluoropropoxy)benzoate
CID 19622898
[4-(2-hydroxybenzoyl)phenyl] 2,3,4,5,6-pentafluorobenzoate
CID 59687407
1-[5-(2,2,3,3-tetrafluoropropoxy)-2-pyridinyl]ethanone
CID 83119686

Frequently Asked Questions

What is the IUPAC name of (2-hydroxyphenyl)-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]methanone?
The IUPAC name of (2-hydroxyphenyl)-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]methanone (CID 150510109) is (2-hydroxyphenyl)-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]methanone.
What is the SMILES notation for (2-hydroxyphenyl)-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]methanone?
The canonical SMILES for (2-hydroxyphenyl)-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]methanone is O=C(c1ccc(OCC(F)(F)C(F)F)cc1)c1ccccc1O.
What is the InChIKey of (2-hydroxyphenyl)-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]methanone?
The InChIKey is HZQLEGACOJZWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F4O3/c17-15(18)16(19,20)9-23-11-7-5-10(6-8-11)14(22)12-3-1-2-4-13(12)21/h1-8,15,21H,9H2.
What are the key properties of (2-hydroxyphenyl)-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]methanone?
(2-hydroxyphenyl)-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]methanone has a molecular weight of 328.26 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxyphenyl)-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]methanone is sourced from PubChem (CID 150510109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).