2-(cyclopropylmethoxy)-4-fluoro-1-methylbenzene;propane

C14H21FO — CID 162532018

IUPAC2-(cyclopropylmethoxy)-4-fluoro-1-methylbenzene;propane
SMILESCCC.Cc1ccc(F)cc1OCC1CC1
InChIInChI=1S/C11H13FO.C3H8/c1-8-2-5-10(12)6-11(8)13-7-9-3-4-9;1-3-2/h2,5-6,9H,3-4,7H2,1H3;3H2,1-2H3
InChIKeyQPLNIPZLQLTWSO-UHFFFAOYSA-N
MW224.32 g/mol
LogP4.34
Rot. Bonds3

About 2-(cyclopropylmethoxy)-4-fluoro-1-methylbenzene;propane

2-(cyclopropylmethoxy)-4-fluoro-1-methylbenzene;propane (PubChem CID 162532018) has the molecular formula C14H21FO and a molecular weight of 224.32 g/mol. Its IUPAC name is 2-(cyclopropylmethoxy)-4-fluoro-1-methylbenzene;propane.

Molecular Properties

Compound Name2-(cyclopropylmethoxy)-4-fluoro-1-methylbenzene;propane
PubChem CID162532018
Molecular FormulaC14H21FO
Molecular Weight224.32 g/mol
Exact Mass224.16
IUPAC Name2-(cyclopropylmethoxy)-4-fluoro-1-methylbenzene;propane
SMILESCCC.Cc1ccc(F)cc1OCC1CC1
InChIInChI=1S/C11H13FO.C3H8/c1-8-2-5-10(12)6-11(8)13-7-9-3-4-9;1-3-2/h2,5-6,9H,3-4,7H2,1H3;3H2,1-2H3
InChIKeyQPLNIPZLQLTWSO-UHFFFAOYSA-N
XLogP4.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(cyclopropylmethoxy)-1,4-dimethylbenzene
CID 160770501
N-(cyclopropylmethyl)-2-(5-fluoro-2-methylphenoxy)ethanamine
CID 102987275
2-(cyclopropylmethoxy)-1-methyl-4-(trifluoromethyl)benzene
CID 71084107
2-(4-ethylcyclohexyl)oxy-4-fluoro-1-methylbenzene
CID 102990440
2-[(5-fluoro-2-methylphenoxy)methyl]-5-methyloxolane
CID 103141088
[3-(cyclopropylmethoxy)-4-methylphenyl]methanamine
CID 107655653
2-(cyclopropylmethoxy)-4-fluoro-1-propan-2-ylbenzene
CID 145227609
[3-(cyclopropylmethoxy)-4-methylphenyl]methanediol
CID 123665502
3-(cyclohexylmethoxy)-4-methylaniline
CID 43520190
(1S)-1-[2-(cyclopropylmethoxy)-4-fluorophenyl]ethanol
CID 78932472
1-[(4-butylcyclohexyl)methoxy]-2,4-difluorobenzene
CID 67806514
cyclopropanamine;4-fluoro-2-methoxy-1-methylbenzene
CID 145378951

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethoxy)-4-fluoro-1-methylbenzene;propane?
The IUPAC name of 2-(cyclopropylmethoxy)-4-fluoro-1-methylbenzene;propane (CID 162532018) is 2-(cyclopropylmethoxy)-4-fluoro-1-methylbenzene;propane.
What is the SMILES notation for 2-(cyclopropylmethoxy)-4-fluoro-1-methylbenzene;propane?
The canonical SMILES for 2-(cyclopropylmethoxy)-4-fluoro-1-methylbenzene;propane is CCC.Cc1ccc(F)cc1OCC1CC1.
What is the InChIKey of 2-(cyclopropylmethoxy)-4-fluoro-1-methylbenzene;propane?
The InChIKey is QPLNIPZLQLTWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO.C3H8/c1-8-2-5-10(12)6-11(8)13-7-9-3-4-9;1-3-2/h2,5-6,9H,3-4,7H2,1H3;3H2,1-2H3.
What are the key properties of 2-(cyclopropylmethoxy)-4-fluoro-1-methylbenzene;propane?
2-(cyclopropylmethoxy)-4-fluoro-1-methylbenzene;propane has a molecular weight of 224.32 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxy)-4-fluoro-1-methylbenzene;propane is sourced from PubChem (CID 162532018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).