2-ethyl-1-(5-fluoro-2-methylphenyl)-2-phenylbutan-1-ol

C19H23FO — CID 63414401

IUPAC2-ethyl-1-(5-fluoro-2-methylphenyl)-2-phenylbutan-1-ol
SMILESCCC(CC)(c1ccccc1)C(O)c1cc(F)ccc1C
InChIInChI=1S/C19H23FO/c1-4-19(5-2,15-9-7-6-8-10-15)18(21)17-13-16(20)12-11-14(17)3/h6-13,18,21H,4-5H2,1-3H3
InChIKeyNXCQLSPOLNIFKJ-UHFFFAOYSA-N
MW286.39 g/mol
LogP4.93
Rot. Bonds5

About 2-ethyl-1-(5-fluoro-2-methylphenyl)-2-phenylbutan-1-ol

2-ethyl-1-(5-fluoro-2-methylphenyl)-2-phenylbutan-1-ol (PubChem CID 63414401) has the molecular formula C19H23FO and a molecular weight of 286.39 g/mol. Its IUPAC name is 2-ethyl-1-(5-fluoro-2-methylphenyl)-2-phenylbutan-1-ol.

Molecular Properties

Compound Name2-ethyl-1-(5-fluoro-2-methylphenyl)-2-phenylbutan-1-ol
PubChem CID63414401
Molecular FormulaC19H23FO
Molecular Weight286.39 g/mol
Exact Mass286.17
IUPAC Name2-ethyl-1-(5-fluoro-2-methylphenyl)-2-phenylbutan-1-ol
SMILESCCC(CC)(c1ccccc1)C(O)c1cc(F)ccc1C
InChIInChI=1S/C19H23FO/c1-4-19(5-2,15-9-7-6-8-10-15)18(21)17-13-16(20)12-11-14(17)3/h6-13,18,21H,4-5H2,1-3H3
InChIKeyNXCQLSPOLNIFKJ-UHFFFAOYSA-N
XLogP4.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.39
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-ethyl-1-(2-methylphenyl)-2-phenylbutan-1-ol
CID 63414226
2-ethyl-1-(5-fluoro-2-methylphenyl)butane-1,2-diol
CID 103449382
1-(5-fluoro-2-methylphenyl)-2-methylbutane-1,2-diol
CID 103448709
1-(5-fluoro-2-methylphenyl)-2-methoxy-2-methylbutan-1-ol
CID 116752047
1-(3-bromo-2-fluorophenyl)-2-ethyl-2-phenylbutan-1-ol
CID 106645055
1-(2,5-dimethylphenyl)-2-ethyl-2-phenylbutan-1-amine
CID 63417945
3,3,3-trifluoro-1-(5-fluoro-2-methylphenyl)propan-1-ol
CID 62791994
3-amino-1-(5-fluoro-2-methylphenyl)-2-phenylpropan-1-ol
CID 65186538
(1S,2R)-1-amino-1-(5-fluoro-2-methylphenyl)-3-phenylpropan-2-ol;hydrochloride
CID 171267965
(5-fluoro-2-methylphenyl)-naphthalen-1-ylmethanol
CID 62791504
2-ethyl-1-(3-fluorophenyl)-2-phenylbutan-1-amine
CID 63081353
CID 170791965
CID 170791965

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(5-fluoro-2-methylphenyl)-2-phenylbutan-1-ol?
The IUPAC name of 2-ethyl-1-(5-fluoro-2-methylphenyl)-2-phenylbutan-1-ol (CID 63414401) is 2-ethyl-1-(5-fluoro-2-methylphenyl)-2-phenylbutan-1-ol.
What is the SMILES notation for 2-ethyl-1-(5-fluoro-2-methylphenyl)-2-phenylbutan-1-ol?
The canonical SMILES for 2-ethyl-1-(5-fluoro-2-methylphenyl)-2-phenylbutan-1-ol is CCC(CC)(c1ccccc1)C(O)c1cc(F)ccc1C.
What is the InChIKey of 2-ethyl-1-(5-fluoro-2-methylphenyl)-2-phenylbutan-1-ol?
The InChIKey is NXCQLSPOLNIFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FO/c1-4-19(5-2,15-9-7-6-8-10-15)18(21)17-13-16(20)12-11-14(17)3/h6-13,18,21H,4-5H2,1-3H3.
What are the key properties of 2-ethyl-1-(5-fluoro-2-methylphenyl)-2-phenylbutan-1-ol?
2-ethyl-1-(5-fluoro-2-methylphenyl)-2-phenylbutan-1-ol has a molecular weight of 286.39 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(5-fluoro-2-methylphenyl)-2-phenylbutan-1-ol is sourced from PubChem (CID 63414401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).