5-tert-butyl-1-fluoro-3-methyl-2-(2-methylpropoxy)benzene

C15H23FO — CID 146426251

IUPAC5-tert-butyl-1-fluoro-3-methyl-2-(2-methylpropoxy)benzene
SMILESCc1cc(C(C)(C)C)cc(F)c1OCC(C)C
InChIInChI=1S/C15H23FO/c1-10(2)9-17-14-11(3)7-12(8-13(14)16)15(4,5)6/h7-8,10H,9H2,1-6H3
InChIKeySQAZRPNRHXLOTL-UHFFFAOYSA-N
MW238.35 g/mol
LogP4.47
Rot. Bonds3

About 5-tert-butyl-1-fluoro-3-methyl-2-(2-methylpropoxy)benzene

5-tert-butyl-1-fluoro-3-methyl-2-(2-methylpropoxy)benzene (PubChem CID 146426251) has the molecular formula C15H23FO and a molecular weight of 238.35 g/mol. Its IUPAC name is 5-tert-butyl-1-fluoro-3-methyl-2-(2-methylpropoxy)benzene.

Molecular Properties

Compound Name5-tert-butyl-1-fluoro-3-methyl-2-(2-methylpropoxy)benzene
PubChem CID146426251
Molecular FormulaC15H23FO
Molecular Weight238.35 g/mol
Exact Mass238.17
IUPAC Name5-tert-butyl-1-fluoro-3-methyl-2-(2-methylpropoxy)benzene
SMILESCc1cc(C(C)(C)C)cc(F)c1OCC(C)C
InChIInChI=1S/C15H23FO/c1-10(2)9-17-14-11(3)7-12(8-13(14)16)15(4,5)6/h7-8,10H,9H2,1-6H3
InChIKeySQAZRPNRHXLOTL-UHFFFAOYSA-N
XLogP4.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,2,4,5-tetrafluoro-3-(2-methylpropoxy)benzene
CID 58298374
[3,5-difluoro-4-(2-methylpropoxy)phenyl]methanamine
CID 79886822
1-fluoro-4,5-dimethyl-2-(2-methylpropoxy)benzene
CID 154939698
5-tert-butyl-2-(2-methylpropoxy)-3-nitrobenzaldehyde
CID 100582632
1-[[5,11,17,23-tetratert-butyl-26,27,28-tris(2-hydroxypropoxy)-2,8,14,20-tetrathiapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaen-25-yl]oxy]propan-2-ol
CID 101121253
5-tert-butyl-2-(2-fluoroethoxy)-1,3-dimethylbenzene
CID 143945190
3,5-dimethyl-4-(2-methylpropoxy)benzonitrile
CID 65454303
3,5-dimethyl-2-(2-methylpropoxy)aniline
CID 54853227
3,5-difluoro-2-(2-methylpropoxy)benzenesulfonyl chloride
CID 82915058
3,5-dimethyl-2-(2-methylpropoxy)benzenesulfonyl chloride
CID 82915232
5-fluoro-4-methyl-2-(2-methylpropoxy)aniline
CID 45091606
1,3-dimethyl-2-(2-methylpropoxy)-5-prop-2-enylbenzene
CID 173371935

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-fluoro-3-methyl-2-(2-methylpropoxy)benzene?
The IUPAC name of 5-tert-butyl-1-fluoro-3-methyl-2-(2-methylpropoxy)benzene (CID 146426251) is 5-tert-butyl-1-fluoro-3-methyl-2-(2-methylpropoxy)benzene.
What is the SMILES notation for 5-tert-butyl-1-fluoro-3-methyl-2-(2-methylpropoxy)benzene?
The canonical SMILES for 5-tert-butyl-1-fluoro-3-methyl-2-(2-methylpropoxy)benzene is Cc1cc(C(C)(C)C)cc(F)c1OCC(C)C.
What is the InChIKey of 5-tert-butyl-1-fluoro-3-methyl-2-(2-methylpropoxy)benzene?
The InChIKey is SQAZRPNRHXLOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FO/c1-10(2)9-17-14-11(3)7-12(8-13(14)16)15(4,5)6/h7-8,10H,9H2,1-6H3.
What are the key properties of 5-tert-butyl-1-fluoro-3-methyl-2-(2-methylpropoxy)benzene?
5-tert-butyl-1-fluoro-3-methyl-2-(2-methylpropoxy)benzene has a molecular weight of 238.35 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-fluoro-3-methyl-2-(2-methylpropoxy)benzene is sourced from PubChem (CID 146426251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).