2-ethyl-2-[(3-fluoro-4-methoxyphenyl)methyl]butan-1-ol

C14H21FO2 — CID 66058297

IUPAC2-ethyl-2-[(3-fluoro-4-methoxyphenyl)methyl]butan-1-ol
SMILESCCC(CC)(CO)Cc1ccc(OC)c(F)c1
InChIInChI=1S/C14H21FO2/c1-4-14(5-2,10-16)9-11-6-7-13(17-3)12(15)8-11/h6-8,16H,4-5,9-10H2,1-3H3
InChIKeyLSJPQRAYQHATBH-UHFFFAOYSA-N
MW240.32 g/mol
LogP3.18
Rot. Bonds6

About 2-ethyl-2-[(3-fluoro-4-methoxyphenyl)methyl]butan-1-ol

2-ethyl-2-[(3-fluoro-4-methoxyphenyl)methyl]butan-1-ol (PubChem CID 66058297) has the molecular formula C14H21FO2 and a molecular weight of 240.32 g/mol. Its IUPAC name is 2-ethyl-2-[(3-fluoro-4-methoxyphenyl)methyl]butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-[(3-fluoro-4-methoxyphenyl)methyl]butan-1-ol
PubChem CID66058297
Molecular FormulaC14H21FO2
Molecular Weight240.32 g/mol
Exact Mass240.15
IUPAC Name2-ethyl-2-[(3-fluoro-4-methoxyphenyl)methyl]butan-1-ol
SMILESCCC(CC)(CO)Cc1ccc(OC)c(F)c1
InChIInChI=1S/C14H21FO2/c1-4-14(5-2,10-16)9-11-6-7-13(17-3)12(15)8-11/h6-8,16H,4-5,9-10H2,1-3H3
InChIKeyLSJPQRAYQHATBH-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-[(3-fluoro-4-methoxyphenyl)methyl]hexan-1-ol
CID 66057665
2-ethyl-2-[(3-fluoro-4-methoxyphenyl)methyl]hexan-1-amine
CID 62725099
2-[(3-fluoro-4-methoxyphenyl)methyl]-2-phenylbutan-1-ol
CID 66059563
2-(aminomethyl)-2-(cyclopropylmethyl)-3-(3-fluoro-4-methoxyphenyl)propan-1-ol
CID 106506836
2-(4-ethylphenyl)-1-(3-fluoro-4-methoxyphenyl)propan-2-ol
CID 65147032
2-(aminomethyl)-3-(3-fluoro-4-methoxyphenyl)-2-methylpropan-1-ol
CID 106506240
4-[2,2-bis(chloromethyl)-4-methylpentyl]-2-fluoro-1-methoxybenzene
CID 79447677
2-(3,4-dimethylphenyl)-1-(3-fluoro-4-methoxyphenyl)propan-2-ol
CID 65146874
2,2-difluoro-3-[(3-fluoro-4-methoxyphenyl)methylamino]propan-1-ol
CID 113462742
2-benzyl-1-(3-fluoro-4-methoxyphenyl)butan-2-amine
CID 79008622
2-[(3-chloro-4-fluorophenyl)methyl]-2-ethylpropane-1,3-diol
CID 103042129
1-(3-fluoro-4-methoxyphenyl)-2-(2-methylphenyl)propan-2-ol
CID 65144733

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(3-fluoro-4-methoxyphenyl)methyl]butan-1-ol?
The IUPAC name of 2-ethyl-2-[(3-fluoro-4-methoxyphenyl)methyl]butan-1-ol (CID 66058297) is 2-ethyl-2-[(3-fluoro-4-methoxyphenyl)methyl]butan-1-ol.
What is the SMILES notation for 2-ethyl-2-[(3-fluoro-4-methoxyphenyl)methyl]butan-1-ol?
The canonical SMILES for 2-ethyl-2-[(3-fluoro-4-methoxyphenyl)methyl]butan-1-ol is CCC(CC)(CO)Cc1ccc(OC)c(F)c1.
What is the InChIKey of 2-ethyl-2-[(3-fluoro-4-methoxyphenyl)methyl]butan-1-ol?
The InChIKey is LSJPQRAYQHATBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FO2/c1-4-14(5-2,10-16)9-11-6-7-13(17-3)12(15)8-11/h6-8,16H,4-5,9-10H2,1-3H3.
What are the key properties of 2-ethyl-2-[(3-fluoro-4-methoxyphenyl)methyl]butan-1-ol?
2-ethyl-2-[(3-fluoro-4-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-[(3-fluoro-4-methoxyphenyl)methyl]butan-1-ol is sourced from PubChem (CID 66058297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).