1-[3-chloro-2-methoxy-5-(trifluoromethyl)phenyl]ethanol

C10H10ClF3O2 — CID 84708311

IUPAC1-[3-chloro-2-methoxy-5-(trifluoromethyl)phenyl]ethanol
SMILESCOc1c(Cl)cc(C(F)(F)F)cc1C(C)O
InChIInChI=1S/C10H10ClF3O2/c1-5(15)7-3-6(10(12,13)14)4-8(11)9(7)16-2/h3-5,15H,1-2H3
InChIKeyDEOKRHZSIZPKIB-UHFFFAOYSA-N
MW254.63 g/mol
LogP3.42
Rot. Bonds2

About 1-[3-chloro-2-methoxy-5-(trifluoromethyl)phenyl]ethanol

1-[3-chloro-2-methoxy-5-(trifluoromethyl)phenyl]ethanol (PubChem CID 84708311) has the molecular formula C10H10ClF3O2 and a molecular weight of 254.63 g/mol. Its IUPAC name is 1-[3-chloro-2-methoxy-5-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name1-[3-chloro-2-methoxy-5-(trifluoromethyl)phenyl]ethanol
PubChem CID84708311
Molecular FormulaC10H10ClF3O2
Molecular Weight254.63 g/mol
Exact Mass254.03
IUPAC Name1-[3-chloro-2-methoxy-5-(trifluoromethyl)phenyl]ethanol
SMILESCOc1c(Cl)cc(C(F)(F)F)cc1C(C)O
InChIInChI=1S/C10H10ClF3O2/c1-5(15)7-3-6(10(12,13)14)4-8(11)9(7)16-2/h3-5,15H,1-2H3
InChIKeyDEOKRHZSIZPKIB-UHFFFAOYSA-N
XLogP3.42
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.63
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-dichloro-2-methoxyphenyl)ethanol
CID 82267021
1-(3-chloro-2-methoxy-5-propan-2-ylphenyl)ethanol
CID 84692296
1-(5-chloro-3,4-dimethoxy-2-methylphenyl)ethanol
CID 84694066
1-(3-chloro-2,4,5-trimethoxyphenyl)ethanol
CID 84705859
2-[3-chloro-2-methoxy-5-(trifluoromethyl)phenyl]acetonitrile
CID 84803785
2-[2-chloro-6-methoxy-4-(trifluoromethyl)phenyl]propan-2-ol
CID 117425049
ethyl 2-(5-tert-butyl-3-chloro-2-methoxyphenyl)-2-hydroxyacetate
CID 117484496
2-[2-chloro-6-methoxy-4-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 117458077
3-[3-chloro-2-methoxy-5-(trifluoromethyl)phenyl]propan-1-amine
CID 117422606
1-(3,5-dichloro-4-methoxyphenyl)propane-1,2-diol
CID 85213872
1-[5-[3,5-bis(1-hydroxyethyl)-4-methoxyphenoxy]-3-(1-hydroxyethyl)-2-methoxyphenyl]ethanol
CID 122629520
2-[3-chloro-2-hydroxy-5-(trifluoromethyl)phenyl]propanoic acid
CID 117424985

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-2-methoxy-5-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 1-[3-chloro-2-methoxy-5-(trifluoromethyl)phenyl]ethanol (CID 84708311) is 1-[3-chloro-2-methoxy-5-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 1-[3-chloro-2-methoxy-5-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 1-[3-chloro-2-methoxy-5-(trifluoromethyl)phenyl]ethanol is COc1c(Cl)cc(C(F)(F)F)cc1C(C)O.
What is the InChIKey of 1-[3-chloro-2-methoxy-5-(trifluoromethyl)phenyl]ethanol?
The InChIKey is DEOKRHZSIZPKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF3O2/c1-5(15)7-3-6(10(12,13)14)4-8(11)9(7)16-2/h3-5,15H,1-2H3.
What are the key properties of 1-[3-chloro-2-methoxy-5-(trifluoromethyl)phenyl]ethanol?
1-[3-chloro-2-methoxy-5-(trifluoromethyl)phenyl]ethanol has a molecular weight of 254.63 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-2-methoxy-5-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 84708311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).