ethane;1-ethyl-3-methoxybenzene;propylbenzene

C20H30O — CID 142554792

IUPACethane;1-ethyl-3-methoxybenzene;propylbenzene
SMILESCC.CCCc1ccccc1.CCc1cccc(OC)c1
InChIInChI=1S/C9H12O.C9H12.C2H6/c1-3-8-5-4-6-9(7-8)10-2;1-2-6-9-7-4-3-5-8-9;1-2/h4-7H,3H2,1-2H3;3-5,7-8H,2,6H2,1H3;1-2H3
InChIKeyXHUWWPVHXDWZGC-UHFFFAOYSA-N
MW286.46 g/mol
LogP5.92
Rot. Bonds4

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

ethane;1-ethyl-3-methoxybenzene;propylbenzene (PubChem CID 142554792) has the molecular formula C20H30O and a molecular weight of 286.46 g/mol. Its IUPAC name is ethane;1-ethyl-3-methoxybenzene;propylbenzene.

Molecular Properties

Compound Nameethane;1-ethyl-3-methoxybenzene;propylbenzene
PubChem CID142554792
Molecular FormulaC20H30O
Molecular Weight286.46 g/mol
Exact Mass286.23
IUPAC Nameethane;1-ethyl-3-methoxybenzene;propylbenzene
SMILESCC.CCCc1ccccc1.CCc1cccc(OC)c1
InChIInChI=1S/C9H12O.C9H12.C2H6/c1-3-8-5-4-6-9(7-8)10-2;1-2-6-9-7-4-3-5-8-9;1-2/h4-7H,3H2,1-2H3;3-5,7-8H,2,6H2,1H3;1-2H3
InChIKeyXHUWWPVHXDWZGC-UHFFFAOYSA-N
XLogP5.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.46
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methoxy-3-propylbenzene
CID 14270128
1-ethyl-3-methoxybenzene;hydrofluoride
CID 174493623
7-azabicyclo[4.1.0]hepta-1,3,5-triene;1-ethyl-3-methoxybenzene
CID 20539517
cumene;ethane;1-ethyl-3-methoxybenzene
CID 171630693
1-methoxy-3-(3-propylphenoxy)benzene
CID 153343611
ethane;ethylbenzene;propylbenzene
CID 153343160
ethane;ethylbenzene;propylbenzene
CID 144852867
N-[(3-methoxyphenyl)methyl]-2-phenylethanamine;hydrochloride
CID 52916342
N-benzyl-N-[(3-methoxyphenyl)methyl]ethanamine
CID 70971804
1,3-di(propan-2-yl)benzene;1-ethyl-3-methoxybenzene
CID 178169906
2-(3-methoxyphenyl)-1-(4-propylphenyl)ethanamine
CID 43198146
1-methoxy-3-nonadecylbenzene
CID 154507578

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethyl-3-methoxybenzene;propylbenzene?
The IUPAC name of ethane;1-ethyl-3-methoxybenzene;propylbenzene (CID 142554792) is ethane;1-ethyl-3-methoxybenzene;propylbenzene.
What is the SMILES notation for ethane;1-ethyl-3-methoxybenzene;propylbenzene?
The canonical SMILES for ethane;1-ethyl-3-methoxybenzene;propylbenzene is CC.CCCc1ccccc1.CCc1cccc(OC)c1.
What is the InChIKey of ethane;1-ethyl-3-methoxybenzene;propylbenzene?
The InChIKey is XHUWWPVHXDWZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O.C9H12.C2H6/c1-3-8-5-4-6-9(7-8)10-2;1-2-6-9-7-4-3-5-8-9;1-2/h4-7H,3H2,1-2H3;3-5,7-8H,2,6H2,1H3;1-2H3.
What are the key properties of ethane;1-ethyl-3-methoxybenzene;propylbenzene?
ethane;1-ethyl-3-methoxybenzene;propylbenzene has a molecular weight of 286.46 g/mol, XLogP of 5.92, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethyl-3-methoxybenzene;propylbenzene is sourced from PubChem (CID 142554792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).