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

C13H19FO — CID 83168738

IUPAC4-fluoro-2-methyl-1-(4-methylpentoxy)benzene
SMILESCc1cc(F)ccc1OCCCC(C)C
InChIInChI=1S/C13H19FO/c1-10(2)5-4-8-15-13-7-6-12(14)9-11(13)3/h6-7,9-10H,4-5,8H2,1-3H3
InChIKeyZYUZOWWUROSRHR-UHFFFAOYSA-N
MW210.29 g/mol
LogP3.95
Rot. Bonds5

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

4-fluoro-2-methyl-1-(4-methylpentoxy)benzene (PubChem CID 83168738) has the molecular formula C13H19FO and a molecular weight of 210.29 g/mol. Its IUPAC name is 4-fluoro-2-methyl-1-(4-methylpentoxy)benzene.

Molecular Properties

Compound Name4-fluoro-2-methyl-1-(4-methylpentoxy)benzene
PubChem CID83168738
Molecular FormulaC13H19FO
Molecular Weight210.29 g/mol
Exact Mass210.14
IUPAC Name4-fluoro-2-methyl-1-(4-methylpentoxy)benzene
SMILESCc1cc(F)ccc1OCCCC(C)C
InChIInChI=1S/C13H19FO/c1-10(2)5-4-8-15-13-7-6-12(14)9-11(13)3/h6-7,9-10H,4-5,8H2,1-3H3
InChIKeyZYUZOWWUROSRHR-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

4-bromo-2-methyl-1-(4-methylpentoxy)benzene
CID 83156668
4-chloro-2-methyl-1-(4-methylpentoxy)benzene
CID 151139968
4-fluoro-2-(4-methylpentoxy)aniline
CID 62377671
1-[5-fluoro-2-(4-methylpentoxy)phenyl]piperazine
CID 83162048
5-(4-fluoro-2-methylphenoxy)pentan-2-one
CID 59148010
3-methyl-4-(4-methylpentoxy)benzenesulfonamide
CID 83158353
1-fluoro-4-methyl-2-(4-methylpentoxy)benzene
CID 83168254
(2S)-2-amino-4-(4-fluoro-2-methylphenoxy)butanoic acid
CID 58987438
1,2-dimethyl-3-(4-methylpentoxy)benzene
CID 103432295
6-(4-fluoro-2-methylphenoxy)hexan-3-one
CID 106802146
2-fluoro-1-methyl-4-(4-methylpentoxy)benzene
CID 107171422
1-(4-chlorobut-1-ynyl)-4-fluoro-2-(4-methylpentoxy)benzene
CID 83161823

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-1-(4-methylpentoxy)benzene?
The IUPAC name of 4-fluoro-2-methyl-1-(4-methylpentoxy)benzene (CID 83168738) is 4-fluoro-2-methyl-1-(4-methylpentoxy)benzene.
What is the SMILES notation for 4-fluoro-2-methyl-1-(4-methylpentoxy)benzene?
The canonical SMILES for 4-fluoro-2-methyl-1-(4-methylpentoxy)benzene is Cc1cc(F)ccc1OCCCC(C)C.
What is the InChIKey of 4-fluoro-2-methyl-1-(4-methylpentoxy)benzene?
The InChIKey is ZYUZOWWUROSRHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FO/c1-10(2)5-4-8-15-13-7-6-12(14)9-11(13)3/h6-7,9-10H,4-5,8H2,1-3H3.
What are the key properties of 4-fluoro-2-methyl-1-(4-methylpentoxy)benzene?
4-fluoro-2-methyl-1-(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 4-fluoro-2-methyl-1-(4-methylpentoxy)benzene is sourced from PubChem (CID 83168738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).