2-fluoro-1-hexoxy-3-methylbenzene

C13H19FO — CID 107662011

IUPAC2-fluoro-1-hexoxy-3-methylbenzene
SMILESCCCCCCOc1cccc(C)c1F
InChIInChI=1S/C13H19FO/c1-3-4-5-6-10-15-12-9-7-8-11(2)13(12)14/h7-9H,3-6,10H2,1-2H3
InChIKeyRZPWRTSHEBKNRZ-UHFFFAOYSA-N
MW210.29 g/mol
LogP4.09
Rot. Bonds6

About 2-fluoro-1-hexoxy-3-methylbenzene

2-fluoro-1-hexoxy-3-methylbenzene (PubChem CID 107662011) has the molecular formula C13H19FO and a molecular weight of 210.29 g/mol. Its IUPAC name is 2-fluoro-1-hexoxy-3-methylbenzene.

Molecular Properties

Compound Name2-fluoro-1-hexoxy-3-methylbenzene
PubChem CID107662011
Molecular FormulaC13H19FO
Molecular Weight210.29 g/mol
Exact Mass210.14
IUPAC Name2-fluoro-1-hexoxy-3-methylbenzene
SMILESCCCCCCOc1cccc(C)c1F
InChIInChI=1S/C13H19FO/c1-3-4-5-6-10-15-12-9-7-8-11(2)13(12)14/h7-9H,3-6,10H2,1-2H3
InChIKeyRZPWRTSHEBKNRZ-UHFFFAOYSA-N
XLogP4.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.29
LogP ≤ 54.09
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-dodecoxy-2,3-difluorobenzene
CID 15854521
1-methyl-2-pentadecoxybenzene
CID 154641785
2-fluoro-1-[2-(2-fluoro-3-octoxyphenyl)ethyl]-3-octoxybenzene
CID 139679650
2,3-difluoro-1,4-dihexoxybenzene
CID 125465685
2-fluoro-1-[2-(2-fluoro-3-octoxyphenyl)ethenyl]-3-octoxybenzene
CID 54508553
1-(bromomethyl)-2-fluoro-3-octoxybenzene
CID 19033781
ethane;1-methyl-2-pentoxybenzene
CID 143283195
bis(1-butoxy-2,3-difluoro-4-methylbenzene);bis(2,3-difluoro-1-hexoxy-4-methylbenzene);bis(2,3-difluoro-1-methyl-4-pentoxybenzene);bis(2,3-difluoro-1-methyl-4-propoxybenzene)
CID 162113743
6-(2-fluoro-3-methylphenoxy)hexanoic acid
CID 107655017
1-ethoxy-2-fluoro-3-methylbenzene
CID 59732440
2-butoxy-N-[2-(2-fluoro-3-methylphenoxy)ethyl]ethanamine
CID 107661426
1,8-difluoro-2-hexoxy-7-methylphenanthrene
CID 20821878

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-hexoxy-3-methylbenzene?
The IUPAC name of 2-fluoro-1-hexoxy-3-methylbenzene (CID 107662011) is 2-fluoro-1-hexoxy-3-methylbenzene.
What is the SMILES notation for 2-fluoro-1-hexoxy-3-methylbenzene?
The canonical SMILES for 2-fluoro-1-hexoxy-3-methylbenzene is CCCCCCOc1cccc(C)c1F.
What is the InChIKey of 2-fluoro-1-hexoxy-3-methylbenzene?
The InChIKey is RZPWRTSHEBKNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FO/c1-3-4-5-6-10-15-12-9-7-8-11(2)13(12)14/h7-9H,3-6,10H2,1-2H3.
What are the key properties of 2-fluoro-1-hexoxy-3-methylbenzene?
2-fluoro-1-hexoxy-3-methylbenzene has a molecular weight of 210.29 g/mol, XLogP of 4.09, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-hexoxy-3-methylbenzene is sourced from PubChem (CID 107662011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).