1-ethyl-4-(1-methoxybutan-2-yl)benzene

C13H20O — CID 156826765

IUPAC1-ethyl-4-(1-methoxybutan-2-yl)benzene
SMILESCCc1ccc(C(CC)COC)cc1
InChIInChI=1S/C13H20O/c1-4-11-6-8-13(9-7-11)12(5-2)10-14-3/h6-9,12H,4-5,10H2,1-3H3
InChIKeyAYZUFHGUEPPWRL-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.39
Rot. Bonds5

About 1-ethyl-4-(1-methoxybutan-2-yl)benzene

1-ethyl-4-(1-methoxybutan-2-yl)benzene (PubChem CID 156826765) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 1-ethyl-4-(1-methoxybutan-2-yl)benzene.

Molecular Properties

Compound Name1-ethyl-4-(1-methoxybutan-2-yl)benzene
PubChem CID156826765
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name1-ethyl-4-(1-methoxybutan-2-yl)benzene
SMILESCCc1ccc(C(CC)COC)cc1
InChIInChI=1S/C13H20O/c1-4-11-6-8-13(9-7-11)12(5-2)10-14-3/h6-9,12H,4-5,10H2,1-3H3
InChIKeyAYZUFHGUEPPWRL-UHFFFAOYSA-N
XLogP3.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4-ethylphenyl)-[4-(2-methoxyethyl)phenyl]methanamine
CID 43198378
1-(4-ethylphenyl)-2-(2-methoxyethoxy)ethanamine
CID 43183735
N-[1-(4-ethylphenyl)ethyl]-1-methoxypropan-2-amine
CID 43191926
2-(4-ethylphenyl)propane-1,3-diol
CID 14527849
1-(dimethoxymethyl)-4-ethylbenzene
CID 20549049
1-[4-(1-methoxypentan-3-yl)phenyl]-N-methylmethanamine
CID 142365268
1-methoxy-4-[1-[2-(4-methoxyphenyl)butoxy]butan-2-yl]benzene
CID 139824565
2-[amino(hydroxy)methyl]-4-(1-methoxybutan-2-yl)phenol
CID 156826757
N-ethyl-1-(4-ethylphenyl)-3-methoxypropan-1-amine
CID 62542901
N-ethyl-1-(4-ethylphenyl)-N-(1-methoxypropan-2-yl)ethane-1,2-diamine
CID 55011210
ethane;1-ethyl-4-propan-2-ylbenzene
CID 145053715
(1R,2S)-1,2-bis(4-ethylphenyl)ethane-1,2-diol
CID 131850770

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(1-methoxybutan-2-yl)benzene?
The IUPAC name of 1-ethyl-4-(1-methoxybutan-2-yl)benzene (CID 156826765) is 1-ethyl-4-(1-methoxybutan-2-yl)benzene.
What is the SMILES notation for 1-ethyl-4-(1-methoxybutan-2-yl)benzene?
The canonical SMILES for 1-ethyl-4-(1-methoxybutan-2-yl)benzene is CCc1ccc(C(CC)COC)cc1.
What is the InChIKey of 1-ethyl-4-(1-methoxybutan-2-yl)benzene?
The InChIKey is AYZUFHGUEPPWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-4-11-6-8-13(9-7-11)12(5-2)10-14-3/h6-9,12H,4-5,10H2,1-3H3.
What are the key properties of 1-ethyl-4-(1-methoxybutan-2-yl)benzene?
1-ethyl-4-(1-methoxybutan-2-yl)benzene has a molecular weight of 192.30 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(1-methoxybutan-2-yl)benzene is sourced from PubChem (CID 156826765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).