2-(1-hydroxycyclopropyl)-3-methoxy-5-(trifluoromethyl)phenol

C11H11F3O3 — CID 84803554

IUPAC2-(1-hydroxycyclopropyl)-3-methoxy-5-(trifluoromethyl)phenol
SMILESCOc1cc(C(F)(F)F)cc(O)c1C1(O)CC1
InChIInChI=1S/C11H11F3O3/c1-17-8-5-6(11(12,13)14)4-7(15)9(8)10(16)2-3-10/h4-5,15-16H,2-3H2,1H3
InChIKeyALUHSDUXZMEKLH-UHFFFAOYSA-N
MW248.20 g/mol
LogP2.40
Rot. Bonds2

About 2-(1-hydroxycyclopropyl)-3-methoxy-5-(trifluoromethyl)phenol

2-(1-hydroxycyclopropyl)-3-methoxy-5-(trifluoromethyl)phenol (PubChem CID 84803554) has the molecular formula C11H11F3O3 and a molecular weight of 248.20 g/mol. Its IUPAC name is 2-(1-hydroxycyclopropyl)-3-methoxy-5-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-(1-hydroxycyclopropyl)-3-methoxy-5-(trifluoromethyl)phenol
PubChem CID84803554
Molecular FormulaC11H11F3O3
Molecular Weight248.20 g/mol
Exact Mass248.07
IUPAC Name2-(1-hydroxycyclopropyl)-3-methoxy-5-(trifluoromethyl)phenol
SMILESCOc1cc(C(F)(F)F)cc(O)c1C1(O)CC1
InChIInChI=1S/C11H11F3O3/c1-17-8-5-6(11(12,13)14)4-7(15)9(8)10(16)2-3-10/h4-5,15-16H,2-3H2,1H3
InChIKeyALUHSDUXZMEKLH-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

5-fluoro-2-(1-hydroxycyclopropyl)-3-methoxyphenol
CID 117287688
1-[2-hydroxy-6-methoxy-4-(trifluoromethyl)phenyl]cyclobutane-1-carbonitrile
CID 84809343
4-chloro-3-fluoro-2-(1-hydroxycyclopropyl)-5-methoxyphenol
CID 84795728
5-methoxy-3-(trifluoromethyl)naphthalen-1-ol
CID 90487582
1-[5-(1,1-difluoroethyl)-2,3-dimethoxyphenyl]cyclopropan-1-ol
CID 117398910
3-chloro-2-(1-hydroxycyclopropyl)-4,5-dimethoxyphenol
CID 117363639
1-[2-hydroxy-6-methoxy-4-(trifluoromethyl)phenyl]propan-2-one
CID 84803557
2-chloro-3-(1-hydroxycyclopropyl)-4,5-dimethoxyphenol
CID 117363638
1-(2,6-difluoro-3-methoxyphenyl)cyclopropan-1-ol
CID 84775707
1-[2,6-dimethoxy-4-(trifluoromethyl)phenyl]ethanone
CID 84803559
5-fluoro-2-(1-hydroxycyclopropyl)-4-methoxyphenol
CID 117287689
1-[2-(2-fluoropropan-2-yl)-4,5-dimethoxyphenyl]cyclopropan-1-ol
CID 117389108

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxycyclopropyl)-3-methoxy-5-(trifluoromethyl)phenol?
The IUPAC name of 2-(1-hydroxycyclopropyl)-3-methoxy-5-(trifluoromethyl)phenol (CID 84803554) is 2-(1-hydroxycyclopropyl)-3-methoxy-5-(trifluoromethyl)phenol.
What is the SMILES notation for 2-(1-hydroxycyclopropyl)-3-methoxy-5-(trifluoromethyl)phenol?
The canonical SMILES for 2-(1-hydroxycyclopropyl)-3-methoxy-5-(trifluoromethyl)phenol is COc1cc(C(F)(F)F)cc(O)c1C1(O)CC1.
What is the InChIKey of 2-(1-hydroxycyclopropyl)-3-methoxy-5-(trifluoromethyl)phenol?
The InChIKey is ALUHSDUXZMEKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3O3/c1-17-8-5-6(11(12,13)14)4-7(15)9(8)10(16)2-3-10/h4-5,15-16H,2-3H2,1H3.
What are the key properties of 2-(1-hydroxycyclopropyl)-3-methoxy-5-(trifluoromethyl)phenol?
2-(1-hydroxycyclopropyl)-3-methoxy-5-(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)-3-methoxy-5-(trifluoromethyl)phenol is sourced from PubChem (CID 84803554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).