1-(5-ethyl-4-fluoro-2-methoxyphenyl)propan-2-ol

C12H17FO2 — CID 117303123

IUPAC1-(5-ethyl-4-fluoro-2-methoxyphenyl)propan-2-ol
SMILESCCc1cc(CC(C)O)c(OC)cc1F
InChIInChI=1S/C12H17FO2/c1-4-9-6-10(5-8(2)14)12(15-3)7-11(9)13/h6-8,14H,4-5H2,1-3H3
InChIKeyJOGHDUXDFAIEGD-UHFFFAOYSA-N
MW212.26 g/mol
LogP2.32
Rot. Bonds4

About 1-(5-ethyl-4-fluoro-2-methoxyphenyl)propan-2-ol

1-(5-ethyl-4-fluoro-2-methoxyphenyl)propan-2-ol (PubChem CID 117303123) has the molecular formula C12H17FO2 and a molecular weight of 212.26 g/mol. Its IUPAC name is 1-(5-ethyl-4-fluoro-2-methoxyphenyl)propan-2-ol.

Molecular Properties

Compound Name1-(5-ethyl-4-fluoro-2-methoxyphenyl)propan-2-ol
PubChem CID117303123
Molecular FormulaC12H17FO2
Molecular Weight212.26 g/mol
Exact Mass212.12
IUPAC Name1-(5-ethyl-4-fluoro-2-methoxyphenyl)propan-2-ol
SMILESCCc1cc(CC(C)O)c(OC)cc1F
InChIInChI=1S/C12H17FO2/c1-4-9-6-10(5-8(2)14)12(15-3)7-11(9)13/h6-8,14H,4-5H2,1-3H3
InChIKeyJOGHDUXDFAIEGD-UHFFFAOYSA-N
XLogP2.32
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 ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-difluoro-5-methoxyphenyl)propan-2-ol
CID 117290712
1-[4-(fluoromethyl)-2,5-dimethoxyphenyl]propan-2-ol
CID 117328887
3-(5-ethyl-4-fluoro-2-methoxyphenyl)propan-1-ol
CID 117303114
1-(4-fluoro-2-methoxyphenyl)propan-2-ol
CID 83675442
5-fluoro-2-(2-hydroxypropyl)-4-methoxyphenol
CID 117289277
5-(2-hydroxypropyl)-2,4-dimethoxyphenol
CID 117303005
1-(2-fluoro-3,4-dimethoxyphenyl)propan-2-ol
CID 117305462
1-(5-chloro-2-methoxy-4-methylphenyl)propan-2-ol
CID 117306080
(2R)-1-(2-methoxyphenyl)propan-2-ol
CID 6951555
(2R)-1-(2,4-dimethoxyphenyl)propan-2-ol
CID 75406786
1-(2-methoxy-4-methylsulfanylphenyl)propan-2-ol
CID 117303281
1-bromo-4-ethyl-5-fluoro-2-methoxybenzene
CID 144671819

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-4-fluoro-2-methoxyphenyl)propan-2-ol?
The IUPAC name of 1-(5-ethyl-4-fluoro-2-methoxyphenyl)propan-2-ol (CID 117303123) is 1-(5-ethyl-4-fluoro-2-methoxyphenyl)propan-2-ol.
What is the SMILES notation for 1-(5-ethyl-4-fluoro-2-methoxyphenyl)propan-2-ol?
The canonical SMILES for 1-(5-ethyl-4-fluoro-2-methoxyphenyl)propan-2-ol is CCc1cc(CC(C)O)c(OC)cc1F.
What is the InChIKey of 1-(5-ethyl-4-fluoro-2-methoxyphenyl)propan-2-ol?
The InChIKey is JOGHDUXDFAIEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FO2/c1-4-9-6-10(5-8(2)14)12(15-3)7-11(9)13/h6-8,14H,4-5H2,1-3H3.
What are the key properties of 1-(5-ethyl-4-fluoro-2-methoxyphenyl)propan-2-ol?
1-(5-ethyl-4-fluoro-2-methoxyphenyl)propan-2-ol has a molecular weight of 212.26 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-4-fluoro-2-methoxyphenyl)propan-2-ol is sourced from PubChem (CID 117303123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).