(1R)-1-[2,5-bis(trifluoromethyl)phenyl]-4-(2-methoxyphenyl)butan-1-ol

C19H18F6O2 — CID 160779473

IUPAC(1R)-1-[2,5-bis(trifluoromethyl)phenyl]-4-(2-methoxyphenyl)butan-1-ol
SMILESCOc1ccccc1CCC[C@@H](O)c1cc(C(F)(F)F)ccc1C(F)(F)F
InChIInChI=1S/C19H18F6O2/c1-27-17-8-3-2-5-12(17)6-4-7-16(26)14-11-13(18(20,21)22)9-10-15(14)19(23,24)25/h2-3,5,8-11,16,26H,4,6-7H2,1H3/t16-/m1/s1
InChIKeyRQLNYYLHLLCIFG-MRXNPFEDSA-N
MW392.34 g/mol
LogP5.79
Rot. Bonds6

About (1R)-1-[2,5-bis(trifluoromethyl)phenyl]-4-(2-methoxyphenyl)butan-1-ol

(1R)-1-[2,5-bis(trifluoromethyl)phenyl]-4-(2-methoxyphenyl)butan-1-ol (PubChem CID 160779473) has the molecular formula C19H18F6O2 and a molecular weight of 392.34 g/mol. Its IUPAC name is (1R)-1-[2,5-bis(trifluoromethyl)phenyl]-4-(2-methoxyphenyl)butan-1-ol.

Molecular Properties

Compound Name(1R)-1-[2,5-bis(trifluoromethyl)phenyl]-4-(2-methoxyphenyl)butan-1-ol
PubChem CID160779473
Molecular FormulaC19H18F6O2
Molecular Weight392.34 g/mol
Exact Mass392.12
IUPAC Name(1R)-1-[2,5-bis(trifluoromethyl)phenyl]-4-(2-methoxyphenyl)butan-1-ol
SMILESCOc1ccccc1CCC[C@@H](O)c1cc(C(F)(F)F)ccc1C(F)(F)F
InChIInChI=1S/C19H18F6O2/c1-27-17-8-3-2-5-12(17)6-4-7-16(26)14-11-13(18(20,21)22)9-10-15(14)19(23,24)25/h2-3,5,8-11,16,26H,4,6-7H2,1H3/t16-/m1/s1
InChIKeyRQLNYYLHLLCIFG-MRXNPFEDSA-N
XLogP5.79
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.34
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2,5-bis(trifluoromethyl)phenyl]-4-(2-methoxyphenyl)butan-1-ol?
The IUPAC name of (1R)-1-[2,5-bis(trifluoromethyl)phenyl]-4-(2-methoxyphenyl)butan-1-ol (CID 160779473) is (1R)-1-[2,5-bis(trifluoromethyl)phenyl]-4-(2-methoxyphenyl)butan-1-ol.
What is the SMILES notation for (1R)-1-[2,5-bis(trifluoromethyl)phenyl]-4-(2-methoxyphenyl)butan-1-ol?
The canonical SMILES for (1R)-1-[2,5-bis(trifluoromethyl)phenyl]-4-(2-methoxyphenyl)butan-1-ol is COc1ccccc1CCC[C@@H](O)c1cc(C(F)(F)F)ccc1C(F)(F)F.
What is the InChIKey of (1R)-1-[2,5-bis(trifluoromethyl)phenyl]-4-(2-methoxyphenyl)butan-1-ol?
The InChIKey is RQLNYYLHLLCIFG-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H18F6O2/c1-27-17-8-3-2-5-12(17)6-4-7-16(26)14-11-13(18(20,21)22)9-10-15(14)19(23,24)25/h2-3,5,8-11,16,26H,4,6-7H2,1H3/t16-/m1/s1.
What are the key properties of (1R)-1-[2,5-bis(trifluoromethyl)phenyl]-4-(2-methoxyphenyl)butan-1-ol?
(1R)-1-[2,5-bis(trifluoromethyl)phenyl]-4-(2-methoxyphenyl)butan-1-ol has a molecular weight of 392.34 g/mol, XLogP of 5.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2,5-bis(trifluoromethyl)phenyl]-4-(2-methoxyphenyl)butan-1-ol is sourced from PubChem (CID 160779473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).