1-fluoro-4-methyl-2-(4-methylpentoxy)benzene

C13H19FO — CID 83168254

IUPAC1-fluoro-4-methyl-2-(4-methylpentoxy)benzene
SMILESCc1ccc(F)c(OCCCC(C)C)c1
InChIInChI=1S/C13H19FO/c1-10(2)5-4-8-15-13-9-11(3)6-7-12(13)14/h6-7,9-10H,4-5,8H2,1-3H3
InChIKeyQSSNXOAGXMYYGZ-UHFFFAOYSA-N
MW210.29 g/mol
LogP3.95
Rot. Bonds5

About 1-fluoro-4-methyl-2-(4-methylpentoxy)benzene

1-fluoro-4-methyl-2-(4-methylpentoxy)benzene (PubChem CID 83168254) has the molecular formula C13H19FO and a molecular weight of 210.29 g/mol. Its IUPAC name is 1-fluoro-4-methyl-2-(4-methylpentoxy)benzene.

Molecular Properties

Compound Name1-fluoro-4-methyl-2-(4-methylpentoxy)benzene
PubChem CID83168254
Molecular FormulaC13H19FO
Molecular Weight210.29 g/mol
Exact Mass210.14
IUPAC Name1-fluoro-4-methyl-2-(4-methylpentoxy)benzene
SMILESCc1ccc(F)c(OCCCC(C)C)c1
InChIInChI=1S/C13H19FO/c1-10(2)5-4-8-15-13-9-11(3)6-7-12(13)14/h6-7,9-10H,4-5,8H2,1-3H3
InChIKeyQSSNXOAGXMYYGZ-UHFFFAOYSA-N
XLogP3.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.29
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-fluoro-4-methyl-2-(3-methylbutoxy)benzene
CID 64854132
5-(2-fluoro-5-methylphenoxy)pentan-2-amine
CID 64853835
6-(2-fluoro-5-methylphenoxy)hexan-3-amine
CID 106801003
5-(2-fluoro-5-methylphenoxy)-N-propylpentan-2-amine
CID 64854811
N-ethyl-6-(2-fluoro-5-methylphenoxy)hexan-2-amine
CID 64854812
ethane;1-fluoro-4-methyl-2-propoxybenzene
CID 162531945
1-fluoro-4-methyl-2-(4,4,4-trifluorobutoxy)benzene
CID 115518687
4-(2-fluoro-5-methylphenoxy)-2-(methylamino)butan-1-ol
CID 64856313
1-fluoro-2-(2-fluoropropoxy)-4-methylbenzene
CID 134558934
N-[2-(2-fluoro-5-methylphenoxy)ethyl]-3-propan-2-yloxypropan-1-amine
CID 64855858
4-chloro-2-methyl-1-(4-methylpentoxy)benzene
CID 151139968
4-fluoro-2-methyl-1-(4-methylpentoxy)benzene
CID 83168738

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-methyl-2-(4-methylpentoxy)benzene?
The IUPAC name of 1-fluoro-4-methyl-2-(4-methylpentoxy)benzene (CID 83168254) is 1-fluoro-4-methyl-2-(4-methylpentoxy)benzene.
What is the SMILES notation for 1-fluoro-4-methyl-2-(4-methylpentoxy)benzene?
The canonical SMILES for 1-fluoro-4-methyl-2-(4-methylpentoxy)benzene is Cc1ccc(F)c(OCCCC(C)C)c1.
What is the InChIKey of 1-fluoro-4-methyl-2-(4-methylpentoxy)benzene?
The InChIKey is QSSNXOAGXMYYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FO/c1-10(2)5-4-8-15-13-9-11(3)6-7-12(13)14/h6-7,9-10H,4-5,8H2,1-3H3.
What are the key properties of 1-fluoro-4-methyl-2-(4-methylpentoxy)benzene?
1-fluoro-4-methyl-2-(4-methylpentoxy)benzene has a molecular weight of 210.29 g/mol, XLogP of 3.95, 5 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-(4-methylpentoxy)benzene is sourced from PubChem (CID 83168254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).