2-[5-(1-fluoroethyl)-2,4-dimethoxyphenyl]propan-2-ol

C13H19FO3 — CID 117357814

IUPAC2-[5-(1-fluoroethyl)-2,4-dimethoxyphenyl]propan-2-ol
SMILESCOc1cc(OC)c(C(C)(C)O)cc1C(C)F
InChIInChI=1S/C13H19FO3/c1-8(14)9-6-10(13(2,3)15)12(17-5)7-11(9)16-4/h6-8,15H,1-5H3
InChIKeyBCZLJYSUEKJSIV-UHFFFAOYSA-N
MW242.29 g/mol
LogP2.96
Rot. Bonds4

About 2-[5-(1-fluoroethyl)-2,4-dimethoxyphenyl]propan-2-ol

2-[5-(1-fluoroethyl)-2,4-dimethoxyphenyl]propan-2-ol (PubChem CID 117357814) has the molecular formula C13H19FO3 and a molecular weight of 242.29 g/mol. Its IUPAC name is 2-[5-(1-fluoroethyl)-2,4-dimethoxyphenyl]propan-2-ol.

Molecular Properties

Compound Name2-[5-(1-fluoroethyl)-2,4-dimethoxyphenyl]propan-2-ol
PubChem CID117357814
Molecular FormulaC13H19FO3
Molecular Weight242.29 g/mol
Exact Mass242.13
IUPAC Name2-[5-(1-fluoroethyl)-2,4-dimethoxyphenyl]propan-2-ol
SMILESCOc1cc(OC)c(C(C)(C)O)cc1C(C)F
InChIInChI=1S/C13H19FO3/c1-8(14)9-6-10(13(2,3)15)12(17-5)7-11(9)16-4/h6-8,15H,1-5H3
InChIKeyBCZLJYSUEKJSIV-UHFFFAOYSA-N
XLogP2.96
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.29
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2,5-bis(2-hydroxypropan-2-yl)-4-methoxyphenyl]propan-2-ol
CID 59095315
2-(4,5-difluoro-2-methoxyphenyl)propan-2-ol
CID 84670502
1-[5-(1-fluoroethyl)-2,4-dimethoxyphenyl]propan-2-amine
CID 117355444
2-(2,5-dimethoxy-4-methylphenyl)propan-2-ol;ethane
CID 145081658
5-(1-fluoroethyl)-2,4-dimethoxybenzonitrile
CID 117298364
2-[2,4-dimethoxy-5-(methoxymethyl)phenyl]propan-2-ol
CID 117353561
2-(1-fluoroethyl)-4,5-dimethoxyphenol
CID 84669374
2-tert-butyl-5-(2-hydroxypropan-2-yl)-4-methoxyphenol
CID 117349561
2-[4-(1-fluoroethyl)-2,5-dimethoxyphenyl]-2-hydroxyacetic acid
CID 117398867
2-[5-(1-fluoroethyl)-2,4-dimethoxyphenyl]ethanamine
CID 117327151
2-[5-(difluoromethyl)-2,3-dimethoxyphenyl]propan-2-ol
CID 84705649
ethyl 2-[5-(1-fluoroethyl)-2,4-dimethoxyphenyl]-2-hydroxyacetate
CID 117461694

Frequently Asked Questions

What is the IUPAC name of 2-[5-(1-fluoroethyl)-2,4-dimethoxyphenyl]propan-2-ol?
The IUPAC name of 2-[5-(1-fluoroethyl)-2,4-dimethoxyphenyl]propan-2-ol (CID 117357814) is 2-[5-(1-fluoroethyl)-2,4-dimethoxyphenyl]propan-2-ol.
What is the SMILES notation for 2-[5-(1-fluoroethyl)-2,4-dimethoxyphenyl]propan-2-ol?
The canonical SMILES for 2-[5-(1-fluoroethyl)-2,4-dimethoxyphenyl]propan-2-ol is COc1cc(OC)c(C(C)(C)O)cc1C(C)F.
What is the InChIKey of 2-[5-(1-fluoroethyl)-2,4-dimethoxyphenyl]propan-2-ol?
The InChIKey is BCZLJYSUEKJSIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FO3/c1-8(14)9-6-10(13(2,3)15)12(17-5)7-11(9)16-4/h6-8,15H,1-5H3.
What are the key properties of 2-[5-(1-fluoroethyl)-2,4-dimethoxyphenyl]propan-2-ol?
2-[5-(1-fluoroethyl)-2,4-dimethoxyphenyl]propan-2-ol has a molecular weight of 242.29 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1-fluoroethyl)-2,4-dimethoxyphenyl]propan-2-ol is sourced from PubChem (CID 117357814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).