1-ethyl-2-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene

C21H30O — CID 172620672

IUPAC1-ethyl-2-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene
SMILESCCc1ccccc1C(C)C.COc1ccccc1C(C)C
InChIInChI=1S/C11H16.C10H14O/c1-4-10-7-5-6-8-11(10)9(2)3;1-8(2)9-6-4-5-7-10(9)11-3/h5-9H,4H2,1-3H3;4-8H,1-3H3
InChIKeyJWBGXLHJNLOWCY-UHFFFAOYSA-N
MW298.47 g/mol
LogP6.19
Rot. Bonds4

About 1-ethyl-2-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene

1-ethyl-2-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene (PubChem CID 172620672) has the molecular formula C21H30O and a molecular weight of 298.47 g/mol. Its IUPAC name is 1-ethyl-2-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene.

Molecular Properties

Compound Name1-ethyl-2-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene
PubChem CID172620672
Molecular FormulaC21H30O
Molecular Weight298.47 g/mol
Exact Mass298.23
IUPAC Name1-ethyl-2-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene
SMILESCCc1ccccc1C(C)C.COc1ccccc1C(C)C
InChIInChI=1S/C11H16.C10H14O/c1-4-10-7-5-6-8-11(10)9(2)3;1-8(2)9-6-4-5-7-10(9)11-3/h5-9H,4H2,1-3H3;4-8H,1-3H3
InChIKeyJWBGXLHJNLOWCY-UHFFFAOYSA-N
XLogP6.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.47
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;1-methoxy-2-propan-2-ylbenzene
CID 144548142
ethane;1-methoxy-2-propan-2-ylbenzene
CID 142030907
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CID 173173399
1-propan-2-yl-2-[(2-propan-2-ylphenyl)methyl]benzene
CID 15068594
1-(2-ethylphenyl)-2-(2-fluoro-3-methoxyphenyl)ethanamine
CID 105035625
ethanol;1-(2-ethylphenyl)ethanol
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N-[2,6-di(propan-2-yl)phenyl]-2-(2-methoxyphenyl)acetamide
CID 4793295
1-ethyl-7-methoxy-6-propan-2-ylnaphthalene
CID 14828144
(2S)-N-[(2-methoxyphenyl)methyl]-N-methyl-2-(2-propan-2-ylphenoxy)propanamide
CID 99954014
N-[(2-methoxyphenyl)methyl]-N-methyl-2-(2-propan-2-ylphenoxy)propanamide
CID 132761048
1-[(2S,3R)-3-deuteriobutan-2-yl]-2-methoxybenzene
CID 102007298
1-(1-ethoxyethyl)-2-methoxybenzene
CID 141024824

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene?
The IUPAC name of 1-ethyl-2-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene (CID 172620672) is 1-ethyl-2-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene.
What is the SMILES notation for 1-ethyl-2-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene?
The canonical SMILES for 1-ethyl-2-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene is CCc1ccccc1C(C)C.COc1ccccc1C(C)C.
What is the InChIKey of 1-ethyl-2-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene?
The InChIKey is JWBGXLHJNLOWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16.C10H14O/c1-4-10-7-5-6-8-11(10)9(2)3;1-8(2)9-6-4-5-7-10(9)11-3/h5-9H,4H2,1-3H3;4-8H,1-3H3.
What are the key properties of 1-ethyl-2-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene?
1-ethyl-2-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene has a molecular weight of 298.47 g/mol, XLogP of 6.19, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene is sourced from PubChem (CID 172620672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).