(2,6-difluoro-4-phenylmethoxyphenyl)-(2-phenylmethoxyphenyl)methanol

C27H22F2O3 — CID 164669723

IUPAC(2,6-difluoro-4-phenylmethoxyphenyl)-(2-phenylmethoxyphenyl)methanol
SMILESOC(c1ccccc1OCc1ccccc1)c1c(F)cc(OCc2ccccc2)cc1F
InChIInChI=1S/C27H22F2O3/c28-23-15-21(31-17-19-9-3-1-4-10-19)16-24(29)26(23)27(30)22-13-7-8-14-25(22)32-18-20-11-5-2-6-12-20/h1-16,27,30H,17-18H2
InChIKeyTWRWVBHHGJXLDE-UHFFFAOYSA-N
MW432.47 g/mol
LogP6.20
Rot. Bonds8

About (2,6-difluoro-4-phenylmethoxyphenyl)-(2-phenylmethoxyphenyl)methanol

(2,6-difluoro-4-phenylmethoxyphenyl)-(2-phenylmethoxyphenyl)methanol (PubChem CID 164669723) has the molecular formula C27H22F2O3 and a molecular weight of 432.47 g/mol. Its IUPAC name is (2,6-difluoro-4-phenylmethoxyphenyl)-(2-phenylmethoxyphenyl)methanol.

Molecular Properties

Compound Name(2,6-difluoro-4-phenylmethoxyphenyl)-(2-phenylmethoxyphenyl)methanol
PubChem CID164669723
Molecular FormulaC27H22F2O3
Molecular Weight432.47 g/mol
Exact Mass432.15
IUPAC Name(2,6-difluoro-4-phenylmethoxyphenyl)-(2-phenylmethoxyphenyl)methanol
SMILESOC(c1ccccc1OCc1ccccc1)c1c(F)cc(OCc2ccccc2)cc1F
InChIInChI=1S/C27H22F2O3/c28-23-15-21(31-17-19-9-3-1-4-10-19)16-24(29)26(23)27(30)22-13-7-8-14-25(22)32-18-20-11-5-2-6-12-20/h1-16,27,30H,17-18H2
InChIKeyTWRWVBHHGJXLDE-UHFFFAOYSA-N
XLogP6.20
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.47
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,6-difluoro-4-phenylmethoxyphenyl)-(2-phenylmethoxyphenyl)methanol?
The IUPAC name of (2,6-difluoro-4-phenylmethoxyphenyl)-(2-phenylmethoxyphenyl)methanol (CID 164669723) is (2,6-difluoro-4-phenylmethoxyphenyl)-(2-phenylmethoxyphenyl)methanol.
What is the SMILES notation for (2,6-difluoro-4-phenylmethoxyphenyl)-(2-phenylmethoxyphenyl)methanol?
The canonical SMILES for (2,6-difluoro-4-phenylmethoxyphenyl)-(2-phenylmethoxyphenyl)methanol is OC(c1ccccc1OCc1ccccc1)c1c(F)cc(OCc2ccccc2)cc1F.
What is the InChIKey of (2,6-difluoro-4-phenylmethoxyphenyl)-(2-phenylmethoxyphenyl)methanol?
The InChIKey is TWRWVBHHGJXLDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22F2O3/c28-23-15-21(31-17-19-9-3-1-4-10-19)16-24(29)26(23)27(30)22-13-7-8-14-25(22)32-18-20-11-5-2-6-12-20/h1-16,27,30H,17-18H2.
What are the key properties of (2,6-difluoro-4-phenylmethoxyphenyl)-(2-phenylmethoxyphenyl)methanol?
(2,6-difluoro-4-phenylmethoxyphenyl)-(2-phenylmethoxyphenyl)methanol has a molecular weight of 432.47 g/mol, XLogP of 6.20, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluoro-4-phenylmethoxyphenyl)-(2-phenylmethoxyphenyl)methanol is sourced from PubChem (CID 164669723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).