1-butoxy-2-ethyl-4-methylbenzene

C13H20O — CID 20826275

IUPAC1-butoxy-2-ethyl-4-methylbenzene
SMILESCCCCOc1ccc(C)cc1CC
InChIInChI=1S/C13H20O/c1-4-6-9-14-13-8-7-11(3)10-12(13)5-2/h7-8,10H,4-6,9H2,1-3H3
InChIKeyZHEJRWDEGKTRIJ-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.74
Rot. Bonds5

About 1-butoxy-2-ethyl-4-methylbenzene

1-butoxy-2-ethyl-4-methylbenzene (PubChem CID 20826275) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 1-butoxy-2-ethyl-4-methylbenzene.

Molecular Properties

Compound Name1-butoxy-2-ethyl-4-methylbenzene
PubChem CID20826275
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name1-butoxy-2-ethyl-4-methylbenzene
SMILESCCCCOc1ccc(C)cc1CC
InChIInChI=1S/C13H20O/c1-4-6-9-14-13-8-7-11(3)10-12(13)5-2/h7-8,10H,4-6,9H2,1-3H3
InChIKeyZHEJRWDEGKTRIJ-UHFFFAOYSA-N
XLogP3.74
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 ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-butoxy-5-methylphenyl)acetic acid
CID 82051975
2-(bromomethyl)-4-methyl-1-nonoxybenzene
CID 63535427
2-(chloromethyl)-1-hexoxy-4-methylbenzene
CID 63535574
N-methyl-1-(5-methyl-2-pentoxyphenyl)methanamine
CID 63323494
2-ethyl-1-(2-ethyl-4-methylphenoxy)-4-methylbenzene
CID 57313101
2-butoxy-4-methylbenzaldehyde
CID 162455333
1-butoxy-4-methyl-2-methylsulfanylbenzene
CID 22950612
1-(4-butoxy-3-ethylphenyl)ethanone
CID 90741782
N-[[2-(2-butoxyethoxy)-5-methylphenyl]methyl]ethanamine
CID 63323068
N-[(5-methyl-2-propoxyphenyl)methyl]butan-1-amine
CID 97179196
2-butoxy-1-iodo-4-methylbenzene
CID 174551219
N-methyl-1-(5-methyl-2-propoxyphenyl)methanamine
CID 63323239

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-2-ethyl-4-methylbenzene?
The IUPAC name of 1-butoxy-2-ethyl-4-methylbenzene (CID 20826275) is 1-butoxy-2-ethyl-4-methylbenzene.
What is the SMILES notation for 1-butoxy-2-ethyl-4-methylbenzene?
The canonical SMILES for 1-butoxy-2-ethyl-4-methylbenzene is CCCCOc1ccc(C)cc1CC.
What is the InChIKey of 1-butoxy-2-ethyl-4-methylbenzene?
The InChIKey is ZHEJRWDEGKTRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-4-6-9-14-13-8-7-11(3)10-12(13)5-2/h7-8,10H,4-6,9H2,1-3H3.
What are the key properties of 1-butoxy-2-ethyl-4-methylbenzene?
1-butoxy-2-ethyl-4-methylbenzene has a molecular weight of 192.30 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-2-ethyl-4-methylbenzene is sourced from PubChem (CID 20826275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).