2-ethoxy-1-(3-fluoro-5-methylphenyl)propan-1-ol

C12H17FO2 — CID 79704820

IUPAC2-ethoxy-1-(3-fluoro-5-methylphenyl)propan-1-ol
SMILESCCOC(C)C(O)c1cc(C)cc(F)c1
InChIInChI=1S/C12H17FO2/c1-4-15-9(3)12(14)10-5-8(2)6-11(13)7-10/h5-7,9,12,14H,4H2,1-3H3
InChIKeyBCZSRJXXKPGPOO-UHFFFAOYSA-N
MW212.26 g/mol
LogP2.59
Rot. Bonds4

About 2-ethoxy-1-(3-fluoro-5-methylphenyl)propan-1-ol

2-ethoxy-1-(3-fluoro-5-methylphenyl)propan-1-ol (PubChem CID 79704820) has the molecular formula C12H17FO2 and a molecular weight of 212.26 g/mol. Its IUPAC name is 2-ethoxy-1-(3-fluoro-5-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-ethoxy-1-(3-fluoro-5-methylphenyl)propan-1-ol
PubChem CID79704820
Molecular FormulaC12H17FO2
Molecular Weight212.26 g/mol
Exact Mass212.12
IUPAC Name2-ethoxy-1-(3-fluoro-5-methylphenyl)propan-1-ol
SMILESCCOC(C)C(O)c1cc(C)cc(F)c1
InChIInChI=1S/C12H17FO2/c1-4-15-9(3)12(14)10-5-8(2)6-11(13)7-10/h5-7,9,12,14H,4H2,1-3H3
InChIKeyBCZSRJXXKPGPOO-UHFFFAOYSA-N
XLogP2.59
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethoxy-1-(3-fluoro-5-methylphenyl)-2-phenylethanol
CID 116757127
1-(3-fluoro-5-methylphenyl)pentane-1,2-diol
CID 103454916
1-(3,5-difluorophenyl)-2,2-diethoxyethanol
CID 79496044
1-(3-fluoro-5-methylphenyl)-2-methoxy-3-methylbutan-1-ol
CID 116711949
ethyl 2-(3-fluoro-5-methylphenyl)-3-methylbutanoate
CID 79690318
1-(3-fluoro-5-methylphenyl)-3-methylbutan-1-ol
CID 79691284
ethyl 2-[(3,5-difluorophenyl)-hydroxymethyl]pentanoate
CID 106532010
3-amino-1-(3-fluoro-5-methylphenyl)propan-1-ol
CID 84769044
1-(3,5-dimethylphenyl)-2-methylpentan-1-ol
CID 63901831
ethyl 4-(3,5-difluorophenyl)-3,4-dihydroxybutanoate
CID 171896963
2-cyclohexyl-1-(3,5-difluorophenyl)-2-ethoxyethanol
CID 116756591
1-(3-fluoro-5-methylphenyl)-2-methoxy-2-phenylethanol
CID 116756883

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-(3-fluoro-5-methylphenyl)propan-1-ol?
The IUPAC name of 2-ethoxy-1-(3-fluoro-5-methylphenyl)propan-1-ol (CID 79704820) is 2-ethoxy-1-(3-fluoro-5-methylphenyl)propan-1-ol.
What is the SMILES notation for 2-ethoxy-1-(3-fluoro-5-methylphenyl)propan-1-ol?
The canonical SMILES for 2-ethoxy-1-(3-fluoro-5-methylphenyl)propan-1-ol is CCOC(C)C(O)c1cc(C)cc(F)c1.
What is the InChIKey of 2-ethoxy-1-(3-fluoro-5-methylphenyl)propan-1-ol?
The InChIKey is BCZSRJXXKPGPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FO2/c1-4-15-9(3)12(14)10-5-8(2)6-11(13)7-10/h5-7,9,12,14H,4H2,1-3H3.
What are the key properties of 2-ethoxy-1-(3-fluoro-5-methylphenyl)propan-1-ol?
2-ethoxy-1-(3-fluoro-5-methylphenyl)propan-1-ol has a molecular weight of 212.26 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-(3-fluoro-5-methylphenyl)propan-1-ol is sourced from PubChem (CID 79704820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).