cumene;ethane;1-ethyl-3-methoxybenzene

C20H30O — CID 171630693

IUPACcumene;ethane;1-ethyl-3-methoxybenzene
SMILESCC.CC(C)c1ccccc1.CCc1cccc(OC)c1
InChIInChI=1S/C9H12O.C9H12.C2H6/c1-3-8-5-4-6-9(7-8)10-2;1-8(2)9-6-4-3-5-7-9;1-2/h4-7H,3H2,1-2H3;3-8H,1-2H3;1-2H3
InChIKeySGUDIEBLUGKXHS-UHFFFAOYSA-N
MW286.46 g/mol
LogP6.09
Rot. Bonds3

About cumene;ethane;1-ethyl-3-methoxybenzene

cumene;ethane;1-ethyl-3-methoxybenzene (PubChem CID 171630693) has the molecular formula C20H30O and a molecular weight of 286.46 g/mol. Its IUPAC name is cumene;ethane;1-ethyl-3-methoxybenzene.

Molecular Properties

Compound Namecumene;ethane;1-ethyl-3-methoxybenzene
PubChem CID171630693
Molecular FormulaC20H30O
Molecular Weight286.46 g/mol
Exact Mass286.23
IUPAC Namecumene;ethane;1-ethyl-3-methoxybenzene
SMILESCC.CC(C)c1ccccc1.CCc1cccc(OC)c1
InChIInChI=1S/C9H12O.C9H12.C2H6/c1-3-8-5-4-6-9(7-8)10-2;1-8(2)9-6-4-3-5-7-9;1-2/h4-7H,3H2,1-2H3;3-8H,1-2H3;1-2H3
InChIKeySGUDIEBLUGKXHS-UHFFFAOYSA-N
XLogP6.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.46
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-di(propan-2-yl)benzene;1-ethyl-3-methoxybenzene
CID 178169906
1-ethyl-3-methoxybenzene;hydrofluoride
CID 174493623
ethane;1-ethyl-3-methoxybenzene;propylbenzene
CID 142554792
7-azabicyclo[4.1.0]hepta-1,3,5-triene;1-ethyl-3-methoxybenzene
CID 20539517
cumene;ethylbenzene;methane
CID 159529846
1-ethyl-3-[(4-propan-2-ylphenyl)methoxy]benzene
CID 60644477
3-ethyl-N-[1-(3-methoxyphenyl)ethyl]aniline
CID 43196055
(2R)-3-(3-methoxyphenyl)-2-methylpropanoic acid
CID 42327175
N-[(3-methoxyphenyl)methyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 43221152
N,N-dibenzyl-3-(3-methoxyphenyl)-2-methylpentan-1-amine
CID 67306009
1-(3-bromo-2-phenylpropoxy)-3-ethylbenzene
CID 65016153
2-(3-methoxyphenyl)-N-methyl-1-(4-propan-2-ylphenyl)ethanamine
CID 43625329

Frequently Asked Questions

What is the IUPAC name of cumene;ethane;1-ethyl-3-methoxybenzene?
The IUPAC name of cumene;ethane;1-ethyl-3-methoxybenzene (CID 171630693) is cumene;ethane;1-ethyl-3-methoxybenzene.
What is the SMILES notation for cumene;ethane;1-ethyl-3-methoxybenzene?
The canonical SMILES for cumene;ethane;1-ethyl-3-methoxybenzene is CC.CC(C)c1ccccc1.CCc1cccc(OC)c1.
What is the InChIKey of cumene;ethane;1-ethyl-3-methoxybenzene?
The InChIKey is SGUDIEBLUGKXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O.C9H12.C2H6/c1-3-8-5-4-6-9(7-8)10-2;1-8(2)9-6-4-3-5-7-9;1-2/h4-7H,3H2,1-2H3;3-8H,1-2H3;1-2H3.
What are the key properties of cumene;ethane;1-ethyl-3-methoxybenzene?
cumene;ethane;1-ethyl-3-methoxybenzene has a molecular weight of 286.46 g/mol, XLogP of 6.09, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cumene;ethane;1-ethyl-3-methoxybenzene is sourced from PubChem (CID 171630693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).