1,1,1,3,3,3-hexafluoro-2-[3-methyl-4-(1-phenylethoxy)phenyl]propan-2-ol

C18H16F6O2 — CID 11632270

IUPAC1,1,1,3,3,3-hexafluoro-2-[3-methyl-4-(1-phenylethoxy)phenyl]propan-2-ol
SMILESCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1OC(C)c1ccccc1
InChIInChI=1S/C18H16F6O2/c1-11-10-14(16(25,17(19,20)21)18(22,23)24)8-9-15(11)26-12(2)13-6-4-3-5-7-13/h3-10,12,25H,1-2H3
InChIKeyLBXAXAKEJGFOSM-UHFFFAOYSA-N
MW378.31 g/mol
LogP5.45
Rot. Bonds4

About 1,1,1,3,3,3-hexafluoro-2-[3-methyl-4-(1-phenylethoxy)phenyl]propan-2-ol

1,1,1,3,3,3-hexafluoro-2-[3-methyl-4-(1-phenylethoxy)phenyl]propan-2-ol (PubChem CID 11632270) has the molecular formula C18H16F6O2 and a molecular weight of 378.31 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-[3-methyl-4-(1-phenylethoxy)phenyl]propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-[3-methyl-4-(1-phenylethoxy)phenyl]propan-2-ol
PubChem CID11632270
Molecular FormulaC18H16F6O2
Molecular Weight378.31 g/mol
Exact Mass378.11
IUPAC Name1,1,1,3,3,3-hexafluoro-2-[3-methyl-4-(1-phenylethoxy)phenyl]propan-2-ol
SMILESCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1OC(C)c1ccccc1
InChIInChI=1S/C18H16F6O2/c1-11-10-14(16(25,17(19,20)21)18(22,23)24)8-9-15(11)26-12(2)13-6-4-3-5-7-13/h3-10,12,25H,1-2H3
InChIKeyLBXAXAKEJGFOSM-UHFFFAOYSA-N
XLogP5.45
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.31
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 480774
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Conocarpan
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6-(1-Hydroxyethyl)-2,2-dimethyl-2H-1-benzopyran
CID 156221
Magreth-1
CID 45267389
Magreth-16a
CID 54592209
Magreth-17a
CID 54592211
Magreth-17b
CID 54592212
Magreth-18a
CID 54592213
Dehydroglyasperin C
CID 480775

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[3-methyl-4-(1-phenylethoxy)phenyl]propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[3-methyl-4-(1-phenylethoxy)phenyl]propan-2-ol (CID 11632270) is 1,1,1,3,3,3-hexafluoro-2-[3-methyl-4-(1-phenylethoxy)phenyl]propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-[3-methyl-4-(1-phenylethoxy)phenyl]propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-[3-methyl-4-(1-phenylethoxy)phenyl]propan-2-ol is Cc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1OC(C)c1ccccc1.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-[3-methyl-4-(1-phenylethoxy)phenyl]propan-2-ol?
The InChIKey is LBXAXAKEJGFOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F6O2/c1-11-10-14(16(25,17(19,20)21)18(22,23)24)8-9-15(11)26-12(2)13-6-4-3-5-7-13/h3-10,12,25H,1-2H3.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-[3-methyl-4-(1-phenylethoxy)phenyl]propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-[3-methyl-4-(1-phenylethoxy)phenyl]propan-2-ol has a molecular weight of 378.31 g/mol, XLogP of 5.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-[3-methyl-4-(1-phenylethoxy)phenyl]propan-2-ol is sourced from PubChem (CID 11632270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).