2-[3-tert-butyl-4-(4-fluoro-2,6-dimethylphenoxy)phenyl]propan-2-ol

C21H27FO2 — CID 167107139

IUPAC2-[3-tert-butyl-4-(4-fluoro-2,6-dimethylphenoxy)phenyl]propan-2-ol
SMILESCc1cc(F)cc(C)c1Oc1ccc(C(C)(C)O)cc1C(C)(C)C
InChIInChI=1S/C21H27FO2/c1-13-10-16(22)11-14(2)19(13)24-18-9-8-15(21(6,7)23)12-17(18)20(3,4)5/h8-12,23H,1-7H3
InChIKeyOEHAPDFMXDOMQN-UHFFFAOYSA-N
MW330.44 g/mol
LogP5.76
Rot. Bonds3

About 2-[3-tert-butyl-4-(4-fluoro-2,6-dimethylphenoxy)phenyl]propan-2-ol

2-[3-tert-butyl-4-(4-fluoro-2,6-dimethylphenoxy)phenyl]propan-2-ol (PubChem CID 167107139) has the molecular formula C21H27FO2 and a molecular weight of 330.44 g/mol. Its IUPAC name is 2-[3-tert-butyl-4-(4-fluoro-2,6-dimethylphenoxy)phenyl]propan-2-ol.

Molecular Properties

Compound Name2-[3-tert-butyl-4-(4-fluoro-2,6-dimethylphenoxy)phenyl]propan-2-ol
PubChem CID167107139
Molecular FormulaC21H27FO2
Molecular Weight330.44 g/mol
Exact Mass330.20
IUPAC Name2-[3-tert-butyl-4-(4-fluoro-2,6-dimethylphenoxy)phenyl]propan-2-ol
SMILESCc1cc(F)cc(C)c1Oc1ccc(C(C)(C)O)cc1C(C)(C)C
InChIInChI=1S/C21H27FO2/c1-13-10-16(22)11-14(2)19(13)24-18-9-8-15(21(6,7)23)12-17(18)20(3,4)5/h8-12,23H,1-7H3
InChIKeyOEHAPDFMXDOMQN-UHFFFAOYSA-N
XLogP5.76
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.44
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-ditert-butylphenoxy)-5-fluoro-1,3-dimethylbenzene
CID 164953864
1-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-2-methoxy-5-methylpyridin-4-one
CID 146576118
6-fluoro-1-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-3-methylquinolin-4-one
CID 146576688
2-[4-(4-fluoro-2,6-dimethylphenoxy)-3-(3-iodo-4-methoxy-1-methyl-2H-pyridin-5-yl)phenyl]propan-2-ol
CID 175903192
2-[4-(4-fluoro-2,6-dimethylphenoxy)-3-(3-iodo-4-methoxy-1-methyl-2H-pyridin-2-yl)phenyl]propan-2-ol
CID 175903121
N-ethyl-4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxothieno[3,2-b]pyridine-2-carboxamide
CID 146575719
2-[4-[4-(2-hydroxypropan-2-yl)-2,6-dimethylphenoxy]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propan-2-ol
CID 153294759
2-(4-fluoro-3-methylphenyl)propan-2-ol
CID 20785410
4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-2-(4-fluoro-4-methylpiperidine-1-carbonyl)-6-methylthieno[2,3-c]pyridin-7-one
CID 170335095
1-ethyl-4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxopyrrolo[2,3-c]pyridine-2-carboxylic acid
CID 167168507
4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-2-(3-fluoro-3-methylpiperidine-1-carbonyl)-6-methylthieno[2,3-c]pyridin-7-one
CID 170335083
2,4-ditert-butyl-1-(trifluoromethoxy)benzene
CID 164683677

Frequently Asked Questions

What is the IUPAC name of 2-[3-tert-butyl-4-(4-fluoro-2,6-dimethylphenoxy)phenyl]propan-2-ol?
The IUPAC name of 2-[3-tert-butyl-4-(4-fluoro-2,6-dimethylphenoxy)phenyl]propan-2-ol (CID 167107139) is 2-[3-tert-butyl-4-(4-fluoro-2,6-dimethylphenoxy)phenyl]propan-2-ol.
What is the SMILES notation for 2-[3-tert-butyl-4-(4-fluoro-2,6-dimethylphenoxy)phenyl]propan-2-ol?
The canonical SMILES for 2-[3-tert-butyl-4-(4-fluoro-2,6-dimethylphenoxy)phenyl]propan-2-ol is Cc1cc(F)cc(C)c1Oc1ccc(C(C)(C)O)cc1C(C)(C)C.
What is the InChIKey of 2-[3-tert-butyl-4-(4-fluoro-2,6-dimethylphenoxy)phenyl]propan-2-ol?
The InChIKey is OEHAPDFMXDOMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FO2/c1-13-10-16(22)11-14(2)19(13)24-18-9-8-15(21(6,7)23)12-17(18)20(3,4)5/h8-12,23H,1-7H3.
What are the key properties of 2-[3-tert-butyl-4-(4-fluoro-2,6-dimethylphenoxy)phenyl]propan-2-ol?
2-[3-tert-butyl-4-(4-fluoro-2,6-dimethylphenoxy)phenyl]propan-2-ol has a molecular weight of 330.44 g/mol, XLogP of 5.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-tert-butyl-4-(4-fluoro-2,6-dimethylphenoxy)phenyl]propan-2-ol is sourced from PubChem (CID 167107139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).