1-ethyl-3-methoxybenzene;hydrofluoride

C9H13FO — CID 174493623

IUPAC1-ethyl-3-methoxybenzene;hydrofluoride
SMILESCCc1cccc(OC)c1.F
InChIInChI=1S/C9H12O.FH/c1-3-8-5-4-6-9(7-8)10-2;/h4-7H,3H2,1-2H3;1H
InChIKeyZDZRRSDARGRHND-UHFFFAOYSA-N
MW156.20 g/mol
LogP2.41
Rot. Bonds2

About 1-ethyl-3-methoxybenzene;hydrofluoride

1-ethyl-3-methoxybenzene;hydrofluoride (PubChem CID 174493623) has the molecular formula C9H13FO and a molecular weight of 156.20 g/mol. Its IUPAC name is 1-ethyl-3-methoxybenzene;hydrofluoride.

Molecular Properties

Compound Name1-ethyl-3-methoxybenzene;hydrofluoride
PubChem CID174493623
Molecular FormulaC9H13FO
Molecular Weight156.20 g/mol
Exact Mass156.10
IUPAC Name1-ethyl-3-methoxybenzene;hydrofluoride
SMILESCCc1cccc(OC)c1.F
InChIInChI=1S/C9H12O.FH/c1-3-8-5-4-6-9(7-8)10-2;/h4-7H,3H2,1-2H3;1H
InChIKeyZDZRRSDARGRHND-UHFFFAOYSA-N
XLogP2.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.20
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7-azabicyclo[4.1.0]hepta-1,3,5-triene;1-ethyl-3-methoxybenzene
CID 20539517
ethane;1-ethyl-3-methoxybenzene;propylbenzene
CID 142554792
1,3-di(propan-2-yl)benzene;1-ethyl-3-methoxybenzene
CID 178169906
cumene;ethane;1-ethyl-3-methoxybenzene
CID 171630693
1-methoxy-3-propylbenzene
CID 14270128
(3-methoxyphenyl)(113C)methanol
CID 11593446
(3-methoxyphenyl)methanethiol
CID 10749403
(3-ethylphenyl) hypoiodite
CID 71211599
1-ethyl-3-methanidyloxybenzene;yttrium
CID 59798330
3-(3-ethylphenyl)-5-(3-methoxyphenyl)pyridine
CID 71141792
CID 87640434
CID 87640434
1-methoxy-3-(3-propylphenoxy)benzene
CID 153343611

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methoxybenzene;hydrofluoride?
The IUPAC name of 1-ethyl-3-methoxybenzene;hydrofluoride (CID 174493623) is 1-ethyl-3-methoxybenzene;hydrofluoride.
What is the SMILES notation for 1-ethyl-3-methoxybenzene;hydrofluoride?
The canonical SMILES for 1-ethyl-3-methoxybenzene;hydrofluoride is CCc1cccc(OC)c1.F.
What is the InChIKey of 1-ethyl-3-methoxybenzene;hydrofluoride?
The InChIKey is ZDZRRSDARGRHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O.FH/c1-3-8-5-4-6-9(7-8)10-2;/h4-7H,3H2,1-2H3;1H.
What are the key properties of 1-ethyl-3-methoxybenzene;hydrofluoride?
1-ethyl-3-methoxybenzene;hydrofluoride has a molecular weight of 156.20 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methoxybenzene;hydrofluoride is sourced from PubChem (CID 174493623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).