1-(2-methoxy-3,4-dimethylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol

C14H18F4O3 — CID 103473969

IUPAC1-(2-methoxy-3,4-dimethylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol
SMILESCOc1c(C(O)COCC(F)(F)C(F)F)ccc(C)c1C
InChIInChI=1S/C14H18F4O3/c1-8-4-5-10(12(20-3)9(8)2)11(19)6-21-7-14(17,18)13(15)16/h4-5,11,13,19H,6-7H2,1-3H3
InChIKeyQBYZUDDVOBZUPN-UHFFFAOYSA-N
MW310.29 g/mol
LogP3.26
Rot. Bonds7

About 1-(2-methoxy-3,4-dimethylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol

1-(2-methoxy-3,4-dimethylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol (PubChem CID 103473969) has the molecular formula C14H18F4O3 and a molecular weight of 310.29 g/mol. Its IUPAC name is 1-(2-methoxy-3,4-dimethylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol.

Molecular Properties

Compound Name1-(2-methoxy-3,4-dimethylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol
PubChem CID103473969
Molecular FormulaC14H18F4O3
Molecular Weight310.29 g/mol
Exact Mass310.12
IUPAC Name1-(2-methoxy-3,4-dimethylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol
SMILESCOc1c(C(O)COCC(F)(F)C(F)F)ccc(C)c1C
InChIInChI=1S/C14H18F4O3/c1-8-4-5-10(12(20-3)9(8)2)11(19)6-21-7-14(17,18)13(15)16/h4-5,11,13,19H,6-7H2,1-3H3
InChIKeyQBYZUDDVOBZUPN-UHFFFAOYSA-N
XLogP3.26
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.29
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methoxy-3,4-dimethylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 103475167
1-(2-fluoro-4-methoxyphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol
CID 103473939
1-(2-methoxy-3,4-dimethylphenyl)-2-methylsulfanylethanol
CID 103433114
1-(4-chloro-2-fluorophenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol
CID 103473924
1-(2-methoxy-3,4-dimethylphenyl)-4-methylpentan-1-ol
CID 103433099
1-(2-methoxy-3,4-dimethylphenyl)decan-1-ol
CID 103435642
2-(ethylamino)-1-(2-methoxy-3,4-dimethylphenyl)ethanol
CID 103434593
1-(2,5-dichlorophenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol
CID 103474160
1-(2-fluoro-4,6-dimethylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol
CID 106881222
1-(2-methoxy-3,4-dimethylphenyl)-2,2-dimethylpropan-1-ol
CID 103432558
3,3,3-trifluoro-1-(2-methoxy-3,4-dimethylphenyl)-2-(trifluoromethyl)propan-1-amine
CID 103435224
[1-(2-methoxy-3,4-dimethylphenyl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine
CID 103436191

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-3,4-dimethylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol?
The IUPAC name of 1-(2-methoxy-3,4-dimethylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol (CID 103473969) is 1-(2-methoxy-3,4-dimethylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol.
What is the SMILES notation for 1-(2-methoxy-3,4-dimethylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol?
The canonical SMILES for 1-(2-methoxy-3,4-dimethylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol is COc1c(C(O)COCC(F)(F)C(F)F)ccc(C)c1C.
What is the InChIKey of 1-(2-methoxy-3,4-dimethylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol?
The InChIKey is QBYZUDDVOBZUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F4O3/c1-8-4-5-10(12(20-3)9(8)2)11(19)6-21-7-14(17,18)13(15)16/h4-5,11,13,19H,6-7H2,1-3H3.
What are the key properties of 1-(2-methoxy-3,4-dimethylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol?
1-(2-methoxy-3,4-dimethylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol has a molecular weight of 310.29 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-3,4-dimethylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol is sourced from PubChem (CID 103473969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).