[6-chloro-2-methoxy-3-(trifluoromethyl)phenyl]methanol

C9H8ClF3O2 — CID 171003011

IUPAC[6-chloro-2-methoxy-3-(trifluoromethyl)phenyl]methanol
SMILESCOc1c(C(F)(F)F)ccc(Cl)c1CO
InChIInChI=1S/C9H8ClF3O2/c1-15-8-5(4-14)7(10)3-2-6(8)9(11,12)13/h2-3,14H,4H2,1H3
InChIKeyMJMHSKPGTJMMMC-UHFFFAOYSA-N
MW240.61 g/mol
LogP2.86
Rot. Bonds2

About [6-chloro-2-methoxy-3-(trifluoromethyl)phenyl]methanol

[6-chloro-2-methoxy-3-(trifluoromethyl)phenyl]methanol (PubChem CID 171003011) has the molecular formula C9H8ClF3O2 and a molecular weight of 240.61 g/mol. Its IUPAC name is [6-chloro-2-methoxy-3-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name[6-chloro-2-methoxy-3-(trifluoromethyl)phenyl]methanol
PubChem CID171003011
Molecular FormulaC9H8ClF3O2
Molecular Weight240.61 g/mol
Exact Mass240.02
IUPAC Name[6-chloro-2-methoxy-3-(trifluoromethyl)phenyl]methanol
SMILESCOc1c(C(F)(F)F)ccc(Cl)c1CO
InChIInChI=1S/C9H8ClF3O2/c1-15-8-5(4-14)7(10)3-2-6(8)9(11,12)13/h2-3,14H,4H2,1H3
InChIKeyMJMHSKPGTJMMMC-UHFFFAOYSA-N
XLogP2.86
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.61
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-2-methoxy-3-(trifluoromethyl)benzoyl chloride
CID 171002787
2-chloro-1-[6-chloro-2-methoxy-3-(trifluoromethyl)phenyl]ethanone
CID 171030175
[3-methoxy-2,4-bis(trifluoromethyl)phenyl]methanol
CID 119001225
[2-amino-3-chloro-6-(trifluoromethyl)phenyl]methanol
CID 119006450
6-chloro-3-(1-hydroxy-2-methylpropan-2-yl)-2-methoxyphenol
CID 117333416
(4-chloro-2,3-dimethoxyphenyl)methanol
CID 84671127
(6-chloro-2-iodo-3-methoxyphenyl)methanol
CID 171002946
3-[3-chloro-4-methoxy-5-(trifluoromethyl)phenyl]propan-1-ol
CID 117425053
[5-chloro-2-(trifluoromethyl)phenyl]methanol
CID 2778112
1,2-dichloro-3-ethyl-4-(trifluoromethyl)benzene
CID 122548871
[4-chloro-3-(trifluoromethyl)phenyl]methanol
CID 2778111
(2,4,6-trichloro-3-methoxyphenyl)methanol
CID 164891467

Frequently Asked Questions

What is the IUPAC name of [6-chloro-2-methoxy-3-(trifluoromethyl)phenyl]methanol?
The IUPAC name of [6-chloro-2-methoxy-3-(trifluoromethyl)phenyl]methanol (CID 171003011) is [6-chloro-2-methoxy-3-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for [6-chloro-2-methoxy-3-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for [6-chloro-2-methoxy-3-(trifluoromethyl)phenyl]methanol is COc1c(C(F)(F)F)ccc(Cl)c1CO.
What is the InChIKey of [6-chloro-2-methoxy-3-(trifluoromethyl)phenyl]methanol?
The InChIKey is MJMHSKPGTJMMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF3O2/c1-15-8-5(4-14)7(10)3-2-6(8)9(11,12)13/h2-3,14H,4H2,1H3.
What are the key properties of [6-chloro-2-methoxy-3-(trifluoromethyl)phenyl]methanol?
[6-chloro-2-methoxy-3-(trifluoromethyl)phenyl]methanol has a molecular weight of 240.61 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-chloro-2-methoxy-3-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 171003011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).