(2R)-1-[4-cyclopropyloxy-3-(trifluoromethyl)phenyl]-2-methylbutan-1-ol

C15H19F3O2 — CID 122470796

IUPAC(2R)-1-[4-cyclopropyloxy-3-(trifluoromethyl)phenyl]-2-methylbutan-1-ol
SMILESCC[C@@H](C)C(O)c1ccc(OC2CC2)c(C(F)(F)F)c1
InChIInChI=1S/C15H19F3O2/c1-3-9(2)14(19)10-4-7-13(20-11-5-6-11)12(8-10)15(16,17)18/h4,7-9,11,14,19H,3,5-6H2,1-2H3/t9-,14?/m1/s1
InChIKeyDWBGGBBHDNTLQE-UCWRFOARSA-N
MW288.31 g/mol
LogP4.33
Rot. Bonds5

About (2R)-1-[4-cyclopropyloxy-3-(trifluoromethyl)phenyl]-2-methylbutan-1-ol

(2R)-1-[4-cyclopropyloxy-3-(trifluoromethyl)phenyl]-2-methylbutan-1-ol (PubChem CID 122470796) has the molecular formula C15H19F3O2 and a molecular weight of 288.31 g/mol. Its IUPAC name is (2R)-1-[4-cyclopropyloxy-3-(trifluoromethyl)phenyl]-2-methylbutan-1-ol.

Molecular Properties

Compound Name(2R)-1-[4-cyclopropyloxy-3-(trifluoromethyl)phenyl]-2-methylbutan-1-ol
PubChem CID122470796
Molecular FormulaC15H19F3O2
Molecular Weight288.31 g/mol
Exact Mass288.13
IUPAC Name(2R)-1-[4-cyclopropyloxy-3-(trifluoromethyl)phenyl]-2-methylbutan-1-ol
SMILESCC[C@@H](C)C(O)c1ccc(OC2CC2)c(C(F)(F)F)c1
InChIInChI=1S/C15H19F3O2/c1-3-9(2)14(19)10-4-7-13(20-11-5-6-11)12(8-10)15(16,17)18/h4,7-9,11,14,19H,3,5-6H2,1-2H3/t9-,14?/m1/s1
InChIKeyDWBGGBBHDNTLQE-UCWRFOARSA-N
XLogP4.33
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-butan-2-yl-2-(trifluoromethyl)phenoxy]oxane
CID 90927060
(2R)-1-(3-chloro-4-cyclopropyloxyphenyl)-2-methylpropane-1,3-diol
CID 122470677
1,2-dicyclopropyloxy-4-propan-2-ylbenzene
CID 160924090
3-bromo-1-[4-methoxy-3-(trifluoromethyl)phenyl]propane-1,2-diol
CID 171860852
1-[6-(4-methylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-2-yl]propan-1-ol
CID 90032710
1-[4-methoxy-3-(trifluoromethyl)phenyl]butane-1,2,4-triol
CID 171873170
(1S,2R)-1-amino-1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylpentan-2-ol;hydrochloride
CID 171267517
(1R,2S)-1-amino-1-[4-chloro-3-(trifluoromethyl)phenyl]-3-methylpentan-2-ol
CID 171263350
1-(4-cyclopentyloxy-3-methoxyphenyl)ethanol
CID 43503851
1-(4-cyclopropyloxyphenyl)propan-1-ol
CID 114518583
(1R,2S)-1-amino-1-[3-chloro-4-(trifluoromethyl)phenyl]-3-methylpentan-2-ol
CID 171265717
1-[4-cycloheptyloxy-3-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 82925757

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-cyclopropyloxy-3-(trifluoromethyl)phenyl]-2-methylbutan-1-ol?
The IUPAC name of (2R)-1-[4-cyclopropyloxy-3-(trifluoromethyl)phenyl]-2-methylbutan-1-ol (CID 122470796) is (2R)-1-[4-cyclopropyloxy-3-(trifluoromethyl)phenyl]-2-methylbutan-1-ol.
What is the SMILES notation for (2R)-1-[4-cyclopropyloxy-3-(trifluoromethyl)phenyl]-2-methylbutan-1-ol?
The canonical SMILES for (2R)-1-[4-cyclopropyloxy-3-(trifluoromethyl)phenyl]-2-methylbutan-1-ol is CC[C@@H](C)C(O)c1ccc(OC2CC2)c(C(F)(F)F)c1.
What is the InChIKey of (2R)-1-[4-cyclopropyloxy-3-(trifluoromethyl)phenyl]-2-methylbutan-1-ol?
The InChIKey is DWBGGBBHDNTLQE-UCWRFOARSA-N. The full InChI is InChI=1S/C15H19F3O2/c1-3-9(2)14(19)10-4-7-13(20-11-5-6-11)12(8-10)15(16,17)18/h4,7-9,11,14,19H,3,5-6H2,1-2H3/t9-,14?/m1/s1.
What are the key properties of (2R)-1-[4-cyclopropyloxy-3-(trifluoromethyl)phenyl]-2-methylbutan-1-ol?
(2R)-1-[4-cyclopropyloxy-3-(trifluoromethyl)phenyl]-2-methylbutan-1-ol has a molecular weight of 288.31 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-cyclopropyloxy-3-(trifluoromethyl)phenyl]-2-methylbutan-1-ol is sourced from PubChem (CID 122470796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).