1-fluoro-4-methyl-2-(3-methylbutoxy)benzene

C12H17FO — CID 64854132

IUPAC1-fluoro-4-methyl-2-(3-methylbutoxy)benzene
SMILESCc1ccc(F)c(OCCC(C)C)c1
InChIInChI=1S/C12H17FO/c1-9(2)6-7-14-12-8-10(3)4-5-11(12)13/h4-5,8-9H,6-7H2,1-3H3
InChIKeySFGRGOWIICETPC-UHFFFAOYSA-N
MW196.27 g/mol
LogP3.56
Rot. Bonds4

About 1-fluoro-4-methyl-2-(3-methylbutoxy)benzene

1-fluoro-4-methyl-2-(3-methylbutoxy)benzene (PubChem CID 64854132) has the molecular formula C12H17FO and a molecular weight of 196.27 g/mol. Its IUPAC name is 1-fluoro-4-methyl-2-(3-methylbutoxy)benzene.

Molecular Properties

Compound Name1-fluoro-4-methyl-2-(3-methylbutoxy)benzene
PubChem CID64854132
Molecular FormulaC12H17FO
Molecular Weight196.27 g/mol
Exact Mass196.13
IUPAC Name1-fluoro-4-methyl-2-(3-methylbutoxy)benzene
SMILESCc1ccc(F)c(OCCC(C)C)c1
InChIInChI=1S/C12H17FO/c1-9(2)6-7-14-12-8-10(3)4-5-11(12)13/h4-5,8-9H,6-7H2,1-3H3
InChIKeySFGRGOWIICETPC-UHFFFAOYSA-N
XLogP3.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-fluoro-4-methyl-2-(4-methylpentoxy)benzene
CID 83168254
5-(2-fluoro-5-methylphenoxy)pentan-2-amine
CID 64853835
ethane;1-fluoro-4-methyl-2-propoxybenzene
CID 162531945
4-(2-fluoro-5-methylphenoxy)-2-(methylamino)butan-1-ol
CID 64856313
1-fluoro-2-(2-fluoropropoxy)-4-methylbenzene
CID 134558934
6-(2-fluoro-5-methylphenoxy)hexan-3-amine
CID 106801003
N-ethyl-6-(2-fluoro-5-methylphenoxy)hexan-2-amine
CID 64854812
2-ethoxy-4-(2-fluoro-5-methylphenoxy)butan-1-amine
CID 64854417
5-(2-fluoro-5-methylphenoxy)-N-propylpentan-2-amine
CID 64854811
1-fluoro-4-methyl-2-(4,4,4-trifluorobutoxy)benzene
CID 115518687
potassium trifluoro-[5-methyl-2-(3-methylbutoxy)phenyl]boranuide
CID 63676021
1-[5-methyl-2-(3-methylbutoxy)phenyl]ethanamine
CID 43504992

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-methyl-2-(3-methylbutoxy)benzene?
The IUPAC name of 1-fluoro-4-methyl-2-(3-methylbutoxy)benzene (CID 64854132) is 1-fluoro-4-methyl-2-(3-methylbutoxy)benzene.
What is the SMILES notation for 1-fluoro-4-methyl-2-(3-methylbutoxy)benzene?
The canonical SMILES for 1-fluoro-4-methyl-2-(3-methylbutoxy)benzene is Cc1ccc(F)c(OCCC(C)C)c1.
What is the InChIKey of 1-fluoro-4-methyl-2-(3-methylbutoxy)benzene?
The InChIKey is SFGRGOWIICETPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FO/c1-9(2)6-7-14-12-8-10(3)4-5-11(12)13/h4-5,8-9H,6-7H2,1-3H3.
What are the key properties of 1-fluoro-4-methyl-2-(3-methylbutoxy)benzene?
1-fluoro-4-methyl-2-(3-methylbutoxy)benzene has a molecular weight of 196.27 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-methyl-2-(3-methylbutoxy)benzene is sourced from PubChem (CID 64854132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).