2-(1-hydroxycyclopropyl)-4-methoxy-6-(trifluoromethyl)phenol

C11H11F3O3 — CID 84803553

IUPAC2-(1-hydroxycyclopropyl)-4-methoxy-6-(trifluoromethyl)phenol
SMILESCOc1cc(C(F)(F)F)c(O)c(C2(O)CC2)c1
InChIInChI=1S/C11H11F3O3/c1-17-6-4-7(10(16)2-3-10)9(15)8(5-6)11(12,13)14/h4-5,15-16H,2-3H2,1H3
InChIKeyBKAIIHLDRFAEPX-UHFFFAOYSA-N
MW248.20 g/mol
LogP2.40
Rot. Bonds2

About 2-(1-hydroxycyclopropyl)-4-methoxy-6-(trifluoromethyl)phenol

2-(1-hydroxycyclopropyl)-4-methoxy-6-(trifluoromethyl)phenol (PubChem CID 84803553) has the molecular formula C11H11F3O3 and a molecular weight of 248.20 g/mol. Its IUPAC name is 2-(1-hydroxycyclopropyl)-4-methoxy-6-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-(1-hydroxycyclopropyl)-4-methoxy-6-(trifluoromethyl)phenol
PubChem CID84803553
Molecular FormulaC11H11F3O3
Molecular Weight248.20 g/mol
Exact Mass248.07
IUPAC Name2-(1-hydroxycyclopropyl)-4-methoxy-6-(trifluoromethyl)phenol
SMILESCOc1cc(C(F)(F)F)c(O)c(C2(O)CC2)c1
InChIInChI=1S/C11H11F3O3/c1-17-6-4-7(10(16)2-3-10)9(15)8(5-6)11(12,13)14/h4-5,15-16H,2-3H2,1H3
InChIKeyBKAIIHLDRFAEPX-UHFFFAOYSA-N
XLogP2.40
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2,5-dimethoxy-3-(trifluoromethyl)phenyl]cyclopropan-1-ol
CID 117409738
4-methoxy-2,6-bis(trifluoromethyl)phenol
CID 134639085
2-(1-hydroxycyclopropyl)-4-methoxy-6-methylphenol
CID 117284601
1-[2-(2-fluoropropan-2-yl)-4,5-dimethoxyphenyl]cyclopropan-1-ol
CID 117389108
1-[2-hydroxy-5-methoxy-3-(trifluoromethyl)phenyl]ethanone
CID 84796758
3-(1-hydroxycyclopropyl)-6-(trifluoromethyl)benzene-1,2-diol
CID 117339821
1-(1-isocyanatocyclopropyl)-2,5-dimethoxy-3-(trifluoromethyl)benzene
CID 117463302
3-[2-hydroxy-5-methoxy-3-(trifluoromethyl)phenyl]propanoic acid
CID 84807388
1-(2-fluoro-5-methoxyphenyl)-4,4-dimethylcyclohexan-1-ol
CID 171366570
1-[4-methoxy-2,6-bis(trifluoromethyl)phenyl]ethanone
CID 134640576
2-(1-amino-3-hydroxypropyl)-4-methoxy-6-(trifluoromethyl)phenol
CID 84807568
2,6-ditert-butyl-4-methoxyphenol
CID 10269

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxycyclopropyl)-4-methoxy-6-(trifluoromethyl)phenol?
The IUPAC name of 2-(1-hydroxycyclopropyl)-4-methoxy-6-(trifluoromethyl)phenol (CID 84803553) is 2-(1-hydroxycyclopropyl)-4-methoxy-6-(trifluoromethyl)phenol.
What is the SMILES notation for 2-(1-hydroxycyclopropyl)-4-methoxy-6-(trifluoromethyl)phenol?
The canonical SMILES for 2-(1-hydroxycyclopropyl)-4-methoxy-6-(trifluoromethyl)phenol is COc1cc(C(F)(F)F)c(O)c(C2(O)CC2)c1.
What is the InChIKey of 2-(1-hydroxycyclopropyl)-4-methoxy-6-(trifluoromethyl)phenol?
The InChIKey is BKAIIHLDRFAEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3O3/c1-17-6-4-7(10(16)2-3-10)9(15)8(5-6)11(12,13)14/h4-5,15-16H,2-3H2,1H3.
What are the key properties of 2-(1-hydroxycyclopropyl)-4-methoxy-6-(trifluoromethyl)phenol?
2-(1-hydroxycyclopropyl)-4-methoxy-6-(trifluoromethyl)phenol has a molecular weight of 248.20 g/mol, XLogP of 2.40, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxycyclopropyl)-4-methoxy-6-(trifluoromethyl)phenol is sourced from PubChem (CID 84803553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).