4-[1-chloro-1,1,3,3,3-pentafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol

C15H10ClF5O2 — CID 19850971

IUPAC4-[1-chloro-1,1,3,3,3-pentafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol
SMILESOc1ccc(C(c2ccc(O)cc2)(C(F)(F)F)C(F)(F)Cl)cc1
InChIInChI=1S/C15H10ClF5O2/c16-14(17,18)13(15(19,20)21,9-1-5-11(22)6-2-9)10-3-7-12(23)8-4-10/h1-8,22-23H
InChIKeyQIRFFFNXQCEPKL-UHFFFAOYSA-N
MW352.69 g/mol
LogP4.78
Rot. Bonds3

About 4-[1-chloro-1,1,3,3,3-pentafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol

4-[1-chloro-1,1,3,3,3-pentafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol (PubChem CID 19850971) has the molecular formula C15H10ClF5O2 and a molecular weight of 352.69 g/mol. Its IUPAC name is 4-[1-chloro-1,1,3,3,3-pentafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol.

Molecular Properties

Compound Name4-[1-chloro-1,1,3,3,3-pentafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol
PubChem CID19850971
Molecular FormulaC15H10ClF5O2
Molecular Weight352.69 g/mol
Exact Mass352.03
IUPAC Name4-[1-chloro-1,1,3,3,3-pentafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol
SMILESOc1ccc(C(c2ccc(O)cc2)(C(F)(F)F)C(F)(F)Cl)cc1
InChIInChI=1S/C15H10ClF5O2/c16-14(17,18)13(15(19,20)21,9-1-5-11(22)6-2-9)10-3-7-12(23)8-4-10/h1-8,22-23H
InChIKeyQIRFFFNXQCEPKL-UHFFFAOYSA-N
XLogP4.78
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.69
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[1,1,1,2,2,4,4,5,5,5-decafluoro-3-(4-hydroxyphenyl)pentan-3-yl]phenol
CID 154343948
4-[1,1,1,3,3,3-hexafluoro-2-(4-methylsulfonylphenyl)propan-2-yl]phenol
CID 21200860
4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol;4-(1,1,1,3,3,3-hexafluoropropan-2-yl)phenol
CID 157443739
1-deuteriooxy-4-[2-(4-deuteriooxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzene
CID 59119030
4-(trifluoromethyl)(18F)phenol
CID 71660610
4-[1,1,2,2-tetrafluoro-2-(4-hydroxyphenyl)ethyl]phenol
CID 11369659
4-(trichloromethyl)phenol
CID 21200855
4-[2-[4-(3-chloroprop-2-enoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenol
CID 139671950
2,2-difluoro-2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenoxy]acetic acid
CID 164747113
[4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenyl] 4-formylbenzoate
CID 88952563
4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol;[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenyl] acetate
CID 159467125
4-[difluoro(phenyl)methyl]phenol
CID 83855777

Frequently Asked Questions

What is the IUPAC name of 4-[1-chloro-1,1,3,3,3-pentafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol?
The IUPAC name of 4-[1-chloro-1,1,3,3,3-pentafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol (CID 19850971) is 4-[1-chloro-1,1,3,3,3-pentafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol.
What is the SMILES notation for 4-[1-chloro-1,1,3,3,3-pentafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol?
The canonical SMILES for 4-[1-chloro-1,1,3,3,3-pentafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol is Oc1ccc(C(c2ccc(O)cc2)(C(F)(F)F)C(F)(F)Cl)cc1.
What is the InChIKey of 4-[1-chloro-1,1,3,3,3-pentafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol?
The InChIKey is QIRFFFNXQCEPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF5O2/c16-14(17,18)13(15(19,20)21,9-1-5-11(22)6-2-9)10-3-7-12(23)8-4-10/h1-8,22-23H.
What are the key properties of 4-[1-chloro-1,1,3,3,3-pentafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol?
4-[1-chloro-1,1,3,3,3-pentafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol has a molecular weight of 352.69 g/mol, XLogP of 4.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-chloro-1,1,3,3,3-pentafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol is sourced from PubChem (CID 19850971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).