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

C12H17FO — CID 67800924

IUPAC4-fluoro-2-methyl-1-(1-propoxyethyl)benzene
SMILESCCCOC(C)c1ccc(F)cc1C
InChIInChI=1S/C12H17FO/c1-4-7-14-10(3)12-6-5-11(13)8-9(12)2/h5-6,8,10H,4,7H2,1-3H3
InChIKeyVVKWQAVFWUQWLX-UHFFFAOYSA-N
MW196.26 g/mol
LogP3.62
Rot. Bonds4

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

4-fluoro-2-methyl-1-(1-propoxyethyl)benzene (PubChem CID 67800924) has the molecular formula C12H17FO and a molecular weight of 196.26 g/mol. Its IUPAC name is 4-fluoro-2-methyl-1-(1-propoxyethyl)benzene.

Molecular Properties

Compound Name4-fluoro-2-methyl-1-(1-propoxyethyl)benzene
PubChem CID67800924
Molecular FormulaC12H17FO
Molecular Weight196.26 g/mol
Exact Mass196.13
IUPAC Name4-fluoro-2-methyl-1-(1-propoxyethyl)benzene
SMILESCCCOC(C)c1ccc(F)cc1C
InChIInChI=1S/C12H17FO/c1-4-7-14-10(3)12-6-5-11(13)8-9(12)2/h5-6,8,10H,4,7H2,1-3H3
InChIKeyVVKWQAVFWUQWLX-UHFFFAOYSA-N
XLogP3.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.26
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-fluoro-2-methylphenyl)-1-propoxypentan-2-one
CID 83225273
1-(4-fluoro-2-methylphenyl)ethanamine
CID 62791014
4-fluoro-1-[1-(4-fluoro-2-methylphenyl)-2-methylpropyl]-2-methylbenzene
CID 145153744
1-(4-fluoro-2-methylphenyl)propan-1-amine
CID 62790852
(1S)-1-(4-fluoro-2-methylphenyl)propan-1-ol
CID 79002158
(1S)-1-(4-fluoro-2-methylphenyl)butan-1-amine;hydrochloride
CID 171221352
1-(4-fluoro-2-methylphenyl)-4-methoxy-3-methyl-N-propylbutan-1-amine
CID 105142781
1-(dimethoxymethyl)-4-fluoro-2-methylbenzene
CID 135381934
ethyl 2-[(4-fluoro-2-methylphenyl)-hydroxymethyl]pentanoate
CID 83043681
bis(4-fluoro-2-methylphenyl)methanol
CID 14371387
2-ethoxy-1-(4-fluoro-2-methylphenyl)-N-methylpentan-1-amine
CID 116717728
1-(4-fluoro-2-methylphenyl)-3-methylbutan-1-amine
CID 62791857

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-1-(1-propoxyethyl)benzene?
The IUPAC name of 4-fluoro-2-methyl-1-(1-propoxyethyl)benzene (CID 67800924) is 4-fluoro-2-methyl-1-(1-propoxyethyl)benzene.
What is the SMILES notation for 4-fluoro-2-methyl-1-(1-propoxyethyl)benzene?
The canonical SMILES for 4-fluoro-2-methyl-1-(1-propoxyethyl)benzene is CCCOC(C)c1ccc(F)cc1C.
What is the InChIKey of 4-fluoro-2-methyl-1-(1-propoxyethyl)benzene?
The InChIKey is VVKWQAVFWUQWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FO/c1-4-7-14-10(3)12-6-5-11(13)8-9(12)2/h5-6,8,10H,4,7H2,1-3H3.
What are the key properties of 4-fluoro-2-methyl-1-(1-propoxyethyl)benzene?
4-fluoro-2-methyl-1-(1-propoxyethyl)benzene has a molecular weight of 196.26 g/mol, XLogP of 3.62, 4 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-(1-propoxyethyl)benzene is sourced from PubChem (CID 67800924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).