[3-chloro-2-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]methanol

C12H14ClF3O3 — CID 112612892

IUPAC[3-chloro-2-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]methanol
SMILESOCc1cccc(Cl)c1OCCCOCC(F)(F)F
InChIInChI=1S/C12H14ClF3O3/c13-10-4-1-3-9(7-17)11(10)19-6-2-5-18-8-12(14,15)16/h1,3-4,17H,2,5-8H2
InChIKeyLXJHNJYUMKZZEN-UHFFFAOYSA-N
MW298.69 g/mol
LogP3.18
Rot. Bonds7

About [3-chloro-2-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]methanol

[3-chloro-2-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]methanol (PubChem CID 112612892) has the molecular formula C12H14ClF3O3 and a molecular weight of 298.69 g/mol. Its IUPAC name is [3-chloro-2-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]methanol.

Molecular Properties

Compound Name[3-chloro-2-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]methanol
PubChem CID112612892
Molecular FormulaC12H14ClF3O3
Molecular Weight298.69 g/mol
Exact Mass298.06
IUPAC Name[3-chloro-2-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]methanol
SMILESOCc1cccc(Cl)c1OCCCOCC(F)(F)F
InChIInChI=1S/C12H14ClF3O3/c13-10-4-1-3-9(7-17)11(10)19-6-2-5-18-8-12(14,15)16/h1,3-4,17H,2,5-8H2
InChIKeyLXJHNJYUMKZZEN-UHFFFAOYSA-N
XLogP3.18
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.69
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,3-dichloro-2-[5-(2,2,2-trifluoroethoxy)pentoxy]benzene
CID 140992298
1-(chloromethyl)-3-methyl-2-[3-(2,2,2-trifluoroethoxy)propoxy]benzene
CID 112613319
1-chloro-3-(chloromethyl)-2-(2,2,2-trifluoroethoxy)benzene
CID 112613555
(3-chloro-2-octoxyphenyl)methanol
CID 112612718
[3,5-dichloro-2-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]methanol
CID 61490364
[3-chloro-2-[2-(3-methylbutoxy)ethoxy]phenyl]methanol
CID 112612739
3-[[2-chloro-6-(hydroxymethyl)phenoxy]methyl]pentan-3-ol
CID 114494489
[3-chloro-2-(4,4,4-trifluorobutoxy)phenyl]methanamine
CID 112607694
1-[3-(2,2,2-trifluoroethoxy)propoxy]naphthalene
CID 64764413
[3-chloro-2-[3-(oxolan-2-yl)propoxy]phenyl]methanol
CID 112612609
[3-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methanol
CID 115956286
[3-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methanol
CID 112612622

Frequently Asked Questions

What is the IUPAC name of [3-chloro-2-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]methanol?
The IUPAC name of [3-chloro-2-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]methanol (CID 112612892) is [3-chloro-2-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]methanol.
What is the SMILES notation for [3-chloro-2-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]methanol?
The canonical SMILES for [3-chloro-2-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]methanol is OCc1cccc(Cl)c1OCCCOCC(F)(F)F.
What is the InChIKey of [3-chloro-2-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]methanol?
The InChIKey is LXJHNJYUMKZZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF3O3/c13-10-4-1-3-9(7-17)11(10)19-6-2-5-18-8-12(14,15)16/h1,3-4,17H,2,5-8H2.
What are the key properties of [3-chloro-2-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]methanol?
[3-chloro-2-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]methanol has a molecular weight of 298.69 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-2-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]methanol is sourced from PubChem (CID 112612892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).