2-ethyl-2-[(2-fluoro-3-methoxyphenyl)methyl]butan-1-ol

C14H21FO2 — CID 113453954

IUPAC2-ethyl-2-[(2-fluoro-3-methoxyphenyl)methyl]butan-1-ol
SMILESCCC(CC)(CO)Cc1cccc(OC)c1F
InChIInChI=1S/C14H21FO2/c1-4-14(5-2,10-16)9-11-7-6-8-12(17-3)13(11)15/h6-8,16H,4-5,9-10H2,1-3H3
InChIKeyQOBGLLDSJRGLHI-UHFFFAOYSA-N
MW240.32 g/mol
LogP3.18
Rot. Bonds6

About 2-ethyl-2-[(2-fluoro-3-methoxyphenyl)methyl]butan-1-ol

2-ethyl-2-[(2-fluoro-3-methoxyphenyl)methyl]butan-1-ol (PubChem CID 113453954) has the molecular formula C14H21FO2 and a molecular weight of 240.32 g/mol. Its IUPAC name is 2-ethyl-2-[(2-fluoro-3-methoxyphenyl)methyl]butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-[(2-fluoro-3-methoxyphenyl)methyl]butan-1-ol
PubChem CID113453954
Molecular FormulaC14H21FO2
Molecular Weight240.32 g/mol
Exact Mass240.15
IUPAC Name2-ethyl-2-[(2-fluoro-3-methoxyphenyl)methyl]butan-1-ol
SMILESCCC(CC)(CO)Cc1cccc(OC)c1F
InChIInChI=1S/C14H21FO2/c1-4-14(5-2,10-16)9-11-7-6-8-12(17-3)13(11)15/h6-8,16H,4-5,9-10H2,1-3H3
InChIKeyQOBGLLDSJRGLHI-UHFFFAOYSA-N
XLogP3.18
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-2-[(2-fluoro-3-methoxyphenyl)methyl]butan-1-amine
CID 113453864
3-[(2-fluoro-3-methoxyphenyl)methyl]pentan-3-ol
CID 104793017
2-[(2,3-difluorophenyl)methyl]-2-ethylbutan-1-ol
CID 66058296
2-[(3-chloro-2-fluorophenyl)methyl]-2-ethylpropane-1,3-diol
CID 102863931
2-(difluoromethoxy)-1-(2-fluoro-3-methoxyphenyl)butan-2-ol
CID 158318334
2-ethyl-2-[(2-fluorophenyl)methyl]butan-1-ol
CID 66058091
1-(2-fluoro-3-methoxyphenyl)-2-(methoxymethyl)butan-2-amine
CID 113453716
2-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylbutanenitrile
CID 104795340
3-ethyl-1-(2-fluoro-3-methoxyphenyl)-3-hydroxypentan-2-one
CID 103446967
1-(2-fluoro-3-methoxyphenyl)-2-(4-methylphenyl)propan-2-ol
CID 104793000
1-[2-(chloromethyl)-2-ethylbutyl]-2-methoxybenzene
CID 66036060
2-ethyl-2-[(3-fluoro-4-methoxyphenyl)methyl]butan-1-ol
CID 66058297

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(2-fluoro-3-methoxyphenyl)methyl]butan-1-ol?
The IUPAC name of 2-ethyl-2-[(2-fluoro-3-methoxyphenyl)methyl]butan-1-ol (CID 113453954) is 2-ethyl-2-[(2-fluoro-3-methoxyphenyl)methyl]butan-1-ol.
What is the SMILES notation for 2-ethyl-2-[(2-fluoro-3-methoxyphenyl)methyl]butan-1-ol?
The canonical SMILES for 2-ethyl-2-[(2-fluoro-3-methoxyphenyl)methyl]butan-1-ol is CCC(CC)(CO)Cc1cccc(OC)c1F.
What is the InChIKey of 2-ethyl-2-[(2-fluoro-3-methoxyphenyl)methyl]butan-1-ol?
The InChIKey is QOBGLLDSJRGLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FO2/c1-4-14(5-2,10-16)9-11-7-6-8-12(17-3)13(11)15/h6-8,16H,4-5,9-10H2,1-3H3.
What are the key properties of 2-ethyl-2-[(2-fluoro-3-methoxyphenyl)methyl]butan-1-ol?
2-ethyl-2-[(2-fluoro-3-methoxyphenyl)methyl]butan-1-ol has a molecular weight of 240.32 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(2-fluoro-3-methoxyphenyl)methyl]butan-1-ol is sourced from PubChem (CID 113453954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).