1-ethoxy-2-fluoro-4-methylbenzene

C9H11FO — CID 21057749

IUPAC1-ethoxy-2-fluoro-4-methylbenzene
SMILESCCOc1ccc(C)cc1F
InChIInChI=1S/C9H11FO/c1-3-11-9-5-4-7(2)6-8(9)10/h4-6H,3H2,1-2H3
InChIKeyZWPAUEJUXNXDTB-UHFFFAOYSA-N
MW154.18 g/mol
LogP2.53
Rot. Bonds2

About 1-ethoxy-2-fluoro-4-methylbenzene

1-ethoxy-2-fluoro-4-methylbenzene (PubChem CID 21057749) has the molecular formula C9H11FO and a molecular weight of 154.18 g/mol. Its IUPAC name is 1-ethoxy-2-fluoro-4-methylbenzene.

Molecular Properties

Compound Name1-ethoxy-2-fluoro-4-methylbenzene
PubChem CID21057749
Molecular FormulaC9H11FO
Molecular Weight154.18 g/mol
Exact Mass154.08
IUPAC Name1-ethoxy-2-fluoro-4-methylbenzene
SMILESCCOc1ccc(C)cc1F
InChIInChI=1S/C9H11FO/c1-3-11-9-5-4-7(2)6-8(9)10/h4-6H,3H2,1-2H3
InChIKeyZWPAUEJUXNXDTB-UHFFFAOYSA-N
XLogP2.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.18
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-fluoro-4-methylphenoxy)ethanamine
CID 83695309
ethane;1-ethoxy-2,4-difluorobenzene
CID 142043713
(2-fluoro-4-methylphenoxy)methanesulfinamide
CID 142961172
1-ethoxy-2-fluoro-4-iodobenzene
CID 50998221
N-(4-ethoxy-3-fluorophenyl)-2-fluoro-4-methylbenzamide
CID 115678718
1,4-diethoxy-2,5-difluorobenzene
CID 58718970
ethane;1-(2-fluoro-4-methylphenoxy)-2-methylpropan-2-ol
CID 145227313
1-(2-ethoxy-5-methylphenyl)prop-1-ene-1,2-dithiol
CID 72543160
triethyl-[2-(2-fluoro-4-methylphenoxy)ethyl]phosphanium iodide
CID 157188616
1-ethoxy-3-fluoro-2,5-dimethylbenzene
CID 59933400
4-ethoxy-3-fluoro-N-methylaniline
CID 68516738
2-(2-fluoro-4-methylphenoxy)ethyl-trimethylazanium iodide
CID 157057570

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2-fluoro-4-methylbenzene?
The IUPAC name of 1-ethoxy-2-fluoro-4-methylbenzene (CID 21057749) is 1-ethoxy-2-fluoro-4-methylbenzene.
What is the SMILES notation for 1-ethoxy-2-fluoro-4-methylbenzene?
The canonical SMILES for 1-ethoxy-2-fluoro-4-methylbenzene is CCOc1ccc(C)cc1F.
What is the InChIKey of 1-ethoxy-2-fluoro-4-methylbenzene?
The InChIKey is ZWPAUEJUXNXDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FO/c1-3-11-9-5-4-7(2)6-8(9)10/h4-6H,3H2,1-2H3.
What are the key properties of 1-ethoxy-2-fluoro-4-methylbenzene?
1-ethoxy-2-fluoro-4-methylbenzene has a molecular weight of 154.18 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2-fluoro-4-methylbenzene is sourced from PubChem (CID 21057749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).