2-[2-[4-(trifluoromethyl)phenoxy]phenyl]benzene-1,4-diol

C19H13F3O3 — CID 174418680

IUPAC2-[2-[4-(trifluoromethyl)phenoxy]phenyl]benzene-1,4-diol
SMILESOc1ccc(O)c(-c2ccccc2Oc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C19H13F3O3/c20-19(21,22)12-5-8-14(9-6-12)25-18-4-2-1-3-15(18)16-11-13(23)7-10-17(16)24/h1-11,23-24H
InChIKeySRTPIKCJMWCRQK-UHFFFAOYSA-N
MW346.30 g/mol
LogP5.58
Rot. Bonds3

About 2-[2-[4-(trifluoromethyl)phenoxy]phenyl]benzene-1,4-diol

2-[2-[4-(trifluoromethyl)phenoxy]phenyl]benzene-1,4-diol (PubChem CID 174418680) has the molecular formula C19H13F3O3 and a molecular weight of 346.30 g/mol. Its IUPAC name is 2-[2-[4-(trifluoromethyl)phenoxy]phenyl]benzene-1,4-diol.

Molecular Properties

Compound Name2-[2-[4-(trifluoromethyl)phenoxy]phenyl]benzene-1,4-diol
PubChem CID174418680
Molecular FormulaC19H13F3O3
Molecular Weight346.30 g/mol
Exact Mass346.08
IUPAC Name2-[2-[4-(trifluoromethyl)phenoxy]phenyl]benzene-1,4-diol
SMILESOc1ccc(O)c(-c2ccccc2Oc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C19H13F3O3/c20-19(21,22)12-5-8-14(9-6-12)25-18-4-2-1-3-15(18)16-11-13(23)7-10-17(16)24/h1-11,23-24H
InChIKeySRTPIKCJMWCRQK-UHFFFAOYSA-N
XLogP5.58
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.30
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

diethyl-[4-[2-[4-(trifluoromethyl)phenoxy]phenyl]phenyl]phosphane
CID 170094465
ethane;4-[2-[4-(trifluoromethyl)phenoxy]phenyl]benzoic acid
CID 169108803
1-methoxy-2-[4-(trifluoromethyl)phenoxy]benzene
CID 76546119
1-ethynyl-2-[4-(trifluoromethyl)phenoxy]benzene
CID 155883074
2-(trifluoromethyl)-4-[4-(trifluoromethyl)phenoxy]phenol
CID 21466577
2-[4-(trifluoromethyl)phenyl]phenol
CID 11230142
4-[2-chloro-4-(trifluoromethyl)phenoxy]phenol
CID 12940613
5-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]phenol
CID 171115606
4-(trifluoromethyl)-2-[3-(trifluoromethyl)phenoxy]phenol
CID 54042030
4-(trifluoromethyl)(18F)phenol
CID 71660610
2-[4-(trifluoromethoxy)phenoxy]phenol
CID 19755907
2-hydroxy-5-[4-(trifluoromethyl)phenoxy]benzoic acid
CID 154115475

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(trifluoromethyl)phenoxy]phenyl]benzene-1,4-diol?
The IUPAC name of 2-[2-[4-(trifluoromethyl)phenoxy]phenyl]benzene-1,4-diol (CID 174418680) is 2-[2-[4-(trifluoromethyl)phenoxy]phenyl]benzene-1,4-diol.
What is the SMILES notation for 2-[2-[4-(trifluoromethyl)phenoxy]phenyl]benzene-1,4-diol?
The canonical SMILES for 2-[2-[4-(trifluoromethyl)phenoxy]phenyl]benzene-1,4-diol is Oc1ccc(O)c(-c2ccccc2Oc2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of 2-[2-[4-(trifluoromethyl)phenoxy]phenyl]benzene-1,4-diol?
The InChIKey is SRTPIKCJMWCRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3O3/c20-19(21,22)12-5-8-14(9-6-12)25-18-4-2-1-3-15(18)16-11-13(23)7-10-17(16)24/h1-11,23-24H.
What are the key properties of 2-[2-[4-(trifluoromethyl)phenoxy]phenyl]benzene-1,4-diol?
2-[2-[4-(trifluoromethyl)phenoxy]phenyl]benzene-1,4-diol has a molecular weight of 346.30 g/mol, XLogP of 5.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(trifluoromethyl)phenoxy]phenyl]benzene-1,4-diol is sourced from PubChem (CID 174418680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).