2-[5-(difluoromethyl)-2,4-dimethoxyphenyl]ethanol

C11H14F2O3 — CID 117335907

IUPAC2-[5-(difluoromethyl)-2,4-dimethoxyphenyl]ethanol
SMILESCOc1cc(OC)c(C(F)F)cc1CCO
InChIInChI=1S/C11H14F2O3/c1-15-9-6-10(16-2)8(11(12)13)5-7(9)3-4-14/h5-6,11,14H,3-4H2,1-2H3
InChIKeyOANJZUZXUGIRBN-UHFFFAOYSA-N
MW232.23 g/mol
LogP2.18
Rot. Bonds5

About 2-[5-(difluoromethyl)-2,4-dimethoxyphenyl]ethanol

2-[5-(difluoromethyl)-2,4-dimethoxyphenyl]ethanol (PubChem CID 117335907) has the molecular formula C11H14F2O3 and a molecular weight of 232.23 g/mol. Its IUPAC name is 2-[5-(difluoromethyl)-2,4-dimethoxyphenyl]ethanol.

Molecular Properties

Compound Name2-[5-(difluoromethyl)-2,4-dimethoxyphenyl]ethanol
PubChem CID117335907
Molecular FormulaC11H14F2O3
Molecular Weight232.23 g/mol
Exact Mass232.09
IUPAC Name2-[5-(difluoromethyl)-2,4-dimethoxyphenyl]ethanol
SMILESCOc1cc(OC)c(C(F)F)cc1CCO
InChIInChI=1S/C11H14F2O3/c1-15-9-6-10(16-2)8(11(12)13)5-7(9)3-4-14/h5-6,11,14H,3-4H2,1-2H3
InChIKeyOANJZUZXUGIRBN-UHFFFAOYSA-N
XLogP2.18
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(difluoromethyl)-2,5-dimethoxyphenyl]-N-methylethanamine
CID 117364649
2-amino-2-[5-(difluoromethyl)-2,4-dimethoxyphenyl]ethanol
CID 117369704
[4-(difluoromethyl)-2,5-dimethoxyphenyl]methanamine
CID 84682512
2-[5-(1-fluoroethyl)-2,4-dimethoxyphenyl]ethanamine
CID 117327151
2-amino-1-[5-(difluoromethyl)-2,4-dimethoxyphenyl]ethanol
CID 117369699
1-[[5-(difluoromethyl)-2,4-dimethoxyphenyl]methyl]piperazine
CID 117461783
2-[[5-(difluoromethyl)-2,4-dimethoxyphenyl]methyl]piperidine
CID 117459514
2-(5-ethyl-2,4-dimethoxyphenyl)propan-1-ol
CID 117322308
2-[4-(difluoromethyl)-2,5-dimethoxyphenyl]-N-[(2-methoxyphenyl)methyl]ethanamine
CID 162430094
3-amino-1-[5-(difluoromethyl)-2,4-dimethoxyphenyl]propan-1-one
CID 117401274
1-[5-(1-fluoroethyl)-2,4-dimethoxyphenyl]propan-2-amine
CID 117355444
2-(4-bromo-2-methoxyphenyl)ethanol
CID 66580015

Frequently Asked Questions

What is the IUPAC name of 2-[5-(difluoromethyl)-2,4-dimethoxyphenyl]ethanol?
The IUPAC name of 2-[5-(difluoromethyl)-2,4-dimethoxyphenyl]ethanol (CID 117335907) is 2-[5-(difluoromethyl)-2,4-dimethoxyphenyl]ethanol.
What is the SMILES notation for 2-[5-(difluoromethyl)-2,4-dimethoxyphenyl]ethanol?
The canonical SMILES for 2-[5-(difluoromethyl)-2,4-dimethoxyphenyl]ethanol is COc1cc(OC)c(C(F)F)cc1CCO.
What is the InChIKey of 2-[5-(difluoromethyl)-2,4-dimethoxyphenyl]ethanol?
The InChIKey is OANJZUZXUGIRBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2O3/c1-15-9-6-10(16-2)8(11(12)13)5-7(9)3-4-14/h5-6,11,14H,3-4H2,1-2H3.
What are the key properties of 2-[5-(difluoromethyl)-2,4-dimethoxyphenyl]ethanol?
2-[5-(difluoromethyl)-2,4-dimethoxyphenyl]ethanol has a molecular weight of 232.23 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(difluoromethyl)-2,4-dimethoxyphenyl]ethanol is sourced from PubChem (CID 117335907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).