[4-(difluoromethoxy)phenyl]-(2,4-difluoro-5-methylphenyl)methanol

C15H12F4O2 — CID 79725993

IUPAC[4-(difluoromethoxy)phenyl]-(2,4-difluoro-5-methylphenyl)methanol
SMILESCc1cc(C(O)c2ccc(OC(F)F)cc2)c(F)cc1F
InChIInChI=1S/C15H12F4O2/c1-8-6-11(13(17)7-12(8)16)14(20)9-2-4-10(5-3-9)21-15(18)19/h2-7,14-15,20H,1H3
InChIKeyOAEYVZJDHBZQSS-UHFFFAOYSA-N
MW300.25 g/mol
LogP3.96
Rot. Bonds4

About [4-(difluoromethoxy)phenyl]-(2,4-difluoro-5-methylphenyl)methanol

[4-(difluoromethoxy)phenyl]-(2,4-difluoro-5-methylphenyl)methanol (PubChem CID 79725993) has the molecular formula C15H12F4O2 and a molecular weight of 300.25 g/mol. Its IUPAC name is [4-(difluoromethoxy)phenyl]-(2,4-difluoro-5-methylphenyl)methanol.

Molecular Properties

Compound Name[4-(difluoromethoxy)phenyl]-(2,4-difluoro-5-methylphenyl)methanol
PubChem CID79725993
Molecular FormulaC15H12F4O2
Molecular Weight300.25 g/mol
Exact Mass300.08
IUPAC Name[4-(difluoromethoxy)phenyl]-(2,4-difluoro-5-methylphenyl)methanol
SMILESCc1cc(C(O)c2ccc(OC(F)F)cc2)c(F)cc1F
InChIInChI=1S/C15H12F4O2/c1-8-6-11(13(17)7-12(8)16)14(20)9-2-4-10(5-3-9)21-15(18)19/h2-7,14-15,20H,1H3
InChIKeyOAEYVZJDHBZQSS-UHFFFAOYSA-N
XLogP3.96
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.25
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,4-difluoro-5-methylphenyl)-(4-iodophenyl)methanol
CID 79731098
(4-cyclopropyloxyphenyl)-(2,4-difluoro-5-methylphenyl)methanol
CID 115838370
[4-(difluoromethoxy)phenyl]-(2,4-dimethylphenyl)methanol
CID 61100942
[4-(difluoromethoxy)phenyl]-(4-methoxy-2-methylphenyl)methanol
CID 61101461
[4-(difluoromethoxy)phenyl]-(2,4,6-trifluorophenyl)methanol
CID 61087299
4-(difluoromethoxy)-2-fluoro-1-methylbenzene;ethane
CID 142506670
(1R)-1-[4-(difluoromethoxy)-2-fluorophenyl]ethanol
CID 107720298
(2,5-difluorophenyl)-(4-fluoro-3-methylphenyl)methanol
CID 62802735
(5-chloro-2-fluorophenyl)-(4-fluoro-3-methylphenyl)methanol
CID 79747556
(3-bromo-4-methylphenyl)-(2,5-difluoro-4-methylphenyl)methanol
CID 81475821
(3-bromo-4-fluorophenyl)-(2,5-difluoro-4-methylphenyl)methanol
CID 107955698
1-[4-(difluoromethoxy)phenyl]-2-[(3-fluoro-4-methylphenyl)methylamino]ethanol
CID 110902096

Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethoxy)phenyl]-(2,4-difluoro-5-methylphenyl)methanol?
The IUPAC name of [4-(difluoromethoxy)phenyl]-(2,4-difluoro-5-methylphenyl)methanol (CID 79725993) is [4-(difluoromethoxy)phenyl]-(2,4-difluoro-5-methylphenyl)methanol.
What is the SMILES notation for [4-(difluoromethoxy)phenyl]-(2,4-difluoro-5-methylphenyl)methanol?
The canonical SMILES for [4-(difluoromethoxy)phenyl]-(2,4-difluoro-5-methylphenyl)methanol is Cc1cc(C(O)c2ccc(OC(F)F)cc2)c(F)cc1F.
What is the InChIKey of [4-(difluoromethoxy)phenyl]-(2,4-difluoro-5-methylphenyl)methanol?
The InChIKey is OAEYVZJDHBZQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F4O2/c1-8-6-11(13(17)7-12(8)16)14(20)9-2-4-10(5-3-9)21-15(18)19/h2-7,14-15,20H,1H3.
What are the key properties of [4-(difluoromethoxy)phenyl]-(2,4-difluoro-5-methylphenyl)methanol?
[4-(difluoromethoxy)phenyl]-(2,4-difluoro-5-methylphenyl)methanol has a molecular weight of 300.25 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethoxy)phenyl]-(2,4-difluoro-5-methylphenyl)methanol is sourced from PubChem (CID 79725993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).