6-[2-(3,5-difluoro-2-hydroxy-4-methylphenyl)propan-2-yl]-2,4-difluoro-3-methylphenol

C17H16F4O2 — CID 139903440

IUPAC6-[2-(3,5-difluoro-2-hydroxy-4-methylphenyl)propan-2-yl]-2,4-difluoro-3-methylphenol
SMILESCc1c(F)cc(C(C)(C)c2cc(F)c(C)c(F)c2O)c(O)c1F
InChIInChI=1S/C17H16F4O2/c1-7-11(18)5-9(15(22)13(7)20)17(3,4)10-6-12(19)8(2)14(21)16(10)23/h5-6,22-23H,1-4H3
InChIKeyVELUKAVEQNIQHD-UHFFFAOYSA-N
MW328.31 g/mol
LogP4.60
Rot. Bonds2

About 6-[2-(3,5-difluoro-2-hydroxy-4-methylphenyl)propan-2-yl]-2,4-difluoro-3-methylphenol

6-[2-(3,5-difluoro-2-hydroxy-4-methylphenyl)propan-2-yl]-2,4-difluoro-3-methylphenol (PubChem CID 139903440) has the molecular formula C17H16F4O2 and a molecular weight of 328.31 g/mol. Its IUPAC name is 6-[2-(3,5-difluoro-2-hydroxy-4-methylphenyl)propan-2-yl]-2,4-difluoro-3-methylphenol.

Molecular Properties

Compound Name6-[2-(3,5-difluoro-2-hydroxy-4-methylphenyl)propan-2-yl]-2,4-difluoro-3-methylphenol
PubChem CID139903440
Molecular FormulaC17H16F4O2
Molecular Weight328.31 g/mol
Exact Mass328.11
IUPAC Name6-[2-(3,5-difluoro-2-hydroxy-4-methylphenyl)propan-2-yl]-2,4-difluoro-3-methylphenol
SMILESCc1c(F)cc(C(C)(C)c2cc(F)c(C)c(F)c2O)c(O)c1F
InChIInChI=1S/C17H16F4O2/c1-7-11(18)5-9(15(22)13(7)20)17(3,4)10-6-12(19)8(2)14(21)16(10)23/h5-6,22-23H,1-4H3
InChIKeyVELUKAVEQNIQHD-UHFFFAOYSA-N
XLogP4.60
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.31
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(3,5-difluoro-2-hydroxy-4-methylphenyl)propan-2-yl]-2,4-difluoro-3-methylphenol?
The IUPAC name of 6-[2-(3,5-difluoro-2-hydroxy-4-methylphenyl)propan-2-yl]-2,4-difluoro-3-methylphenol (CID 139903440) is 6-[2-(3,5-difluoro-2-hydroxy-4-methylphenyl)propan-2-yl]-2,4-difluoro-3-methylphenol.
What is the SMILES notation for 6-[2-(3,5-difluoro-2-hydroxy-4-methylphenyl)propan-2-yl]-2,4-difluoro-3-methylphenol?
The canonical SMILES for 6-[2-(3,5-difluoro-2-hydroxy-4-methylphenyl)propan-2-yl]-2,4-difluoro-3-methylphenol is Cc1c(F)cc(C(C)(C)c2cc(F)c(C)c(F)c2O)c(O)c1F.
What is the InChIKey of 6-[2-(3,5-difluoro-2-hydroxy-4-methylphenyl)propan-2-yl]-2,4-difluoro-3-methylphenol?
The InChIKey is VELUKAVEQNIQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F4O2/c1-7-11(18)5-9(15(22)13(7)20)17(3,4)10-6-12(19)8(2)14(21)16(10)23/h5-6,22-23H,1-4H3.
What are the key properties of 6-[2-(3,5-difluoro-2-hydroxy-4-methylphenyl)propan-2-yl]-2,4-difluoro-3-methylphenol?
6-[2-(3,5-difluoro-2-hydroxy-4-methylphenyl)propan-2-yl]-2,4-difluoro-3-methylphenol has a molecular weight of 328.31 g/mol, XLogP of 4.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3,5-difluoro-2-hydroxy-4-methylphenyl)propan-2-yl]-2,4-difluoro-3-methylphenol is sourced from PubChem (CID 139903440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).