1-[2,5-dimethoxy-3-(trifluoromethyl)phenyl]cyclopropan-1-ol

C12H13F3O3 — CID 117409738

IUPAC1-[2,5-dimethoxy-3-(trifluoromethyl)phenyl]cyclopropan-1-ol
SMILESCOc1cc(C(F)(F)F)c(OC)c(C2(O)CC2)c1
InChIInChI=1S/C12H13F3O3/c1-17-7-5-8(11(16)3-4-11)10(18-2)9(6-7)12(13,14)15/h5-6,16H,3-4H2,1-2H3
InChIKeyQITNPKHYRHKKRQ-UHFFFAOYSA-N
MW262.23 g/mol
LogP2.70
Rot. Bonds3

About 1-[2,5-dimethoxy-3-(trifluoromethyl)phenyl]cyclopropan-1-ol

1-[2,5-dimethoxy-3-(trifluoromethyl)phenyl]cyclopropan-1-ol (PubChem CID 117409738) has the molecular formula C12H13F3O3 and a molecular weight of 262.23 g/mol. Its IUPAC name is 1-[2,5-dimethoxy-3-(trifluoromethyl)phenyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[2,5-dimethoxy-3-(trifluoromethyl)phenyl]cyclopropan-1-ol
PubChem CID117409738
Molecular FormulaC12H13F3O3
Molecular Weight262.23 g/mol
Exact Mass262.08
IUPAC Name1-[2,5-dimethoxy-3-(trifluoromethyl)phenyl]cyclopropan-1-ol
SMILESCOc1cc(C(F)(F)F)c(OC)c(C2(O)CC2)c1
InChIInChI=1S/C12H13F3O3/c1-17-7-5-8(11(16)3-4-11)10(18-2)9(6-7)12(13,14)15/h5-6,16H,3-4H2,1-2H3
InChIKeyQITNPKHYRHKKRQ-UHFFFAOYSA-N
XLogP2.70
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-hydroxycyclopropyl)-4-methoxy-6-(trifluoromethyl)phenol
CID 84803553
1-(1-isocyanatocyclopropyl)-2,5-dimethoxy-3-(trifluoromethyl)benzene
CID 117463302
4-methoxy-2,6-bis(trifluoromethyl)phenol
CID 134639085
1-[2,5-dimethoxy-3-(trifluoromethyl)phenyl]ethanone
CID 84706488
1-[5-(1,1-difluoroethyl)-3-fluoro-2-methoxyphenyl]cyclopropan-1-ol
CID 117367345
1-[5-(1,1-difluoroethyl)-2,3-dimethoxyphenyl]cyclopropan-1-ol
CID 117398910
2-(1-hydroxycyclopropyl)-4-methoxy-6-methylphenol
CID 117284601
1-[2-(2-fluoropropan-2-yl)-4,5-dimethoxyphenyl]cyclopropan-1-ol
CID 117389108
1-[5-bromo-2-methoxy-3-(trifluoromethyl)phenyl]cyclopropan-1-amine
CID 117494647
1-[4-methoxy-2-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic acid
CID 117465530
1-(3-tert-butyl-2,5-dimethoxyphenyl)cyclohexan-1-amine
CID 117470953
1-(5-tert-butyl-3-chloro-2-methoxyphenyl)cyclopropan-1-ol
CID 117390180

Frequently Asked Questions

What is the IUPAC name of 1-[2,5-dimethoxy-3-(trifluoromethyl)phenyl]cyclopropan-1-ol?
The IUPAC name of 1-[2,5-dimethoxy-3-(trifluoromethyl)phenyl]cyclopropan-1-ol (CID 117409738) is 1-[2,5-dimethoxy-3-(trifluoromethyl)phenyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[2,5-dimethoxy-3-(trifluoromethyl)phenyl]cyclopropan-1-ol?
The canonical SMILES for 1-[2,5-dimethoxy-3-(trifluoromethyl)phenyl]cyclopropan-1-ol is COc1cc(C(F)(F)F)c(OC)c(C2(O)CC2)c1.
What is the InChIKey of 1-[2,5-dimethoxy-3-(trifluoromethyl)phenyl]cyclopropan-1-ol?
The InChIKey is QITNPKHYRHKKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3O3/c1-17-7-5-8(11(16)3-4-11)10(18-2)9(6-7)12(13,14)15/h5-6,16H,3-4H2,1-2H3.
What are the key properties of 1-[2,5-dimethoxy-3-(trifluoromethyl)phenyl]cyclopropan-1-ol?
1-[2,5-dimethoxy-3-(trifluoromethyl)phenyl]cyclopropan-1-ol has a molecular weight of 262.23 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,5-dimethoxy-3-(trifluoromethyl)phenyl]cyclopropan-1-ol is sourced from PubChem (CID 117409738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).