1-tert-butyl-3-ethyl-5-methoxybenzene

C13H20O — CID 154541543

IUPAC1-tert-butyl-3-ethyl-5-methoxybenzene
SMILESCCc1cc(OC)cc(C(C)(C)C)c1
InChIInChI=1S/C13H20O/c1-6-10-7-11(13(2,3)4)9-12(8-10)14-5/h7-9H,6H2,1-5H3
InChIKeyFXRWVEFOTMLSHM-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.56
Rot. Bonds2

About 1-tert-butyl-3-ethyl-5-methoxybenzene

1-tert-butyl-3-ethyl-5-methoxybenzene (PubChem CID 154541543) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 1-tert-butyl-3-ethyl-5-methoxybenzene.

Molecular Properties

Compound Name1-tert-butyl-3-ethyl-5-methoxybenzene
PubChem CID154541543
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name1-tert-butyl-3-ethyl-5-methoxybenzene
SMILESCCc1cc(OC)cc(C(C)(C)C)c1
InChIInChI=1S/C13H20O/c1-6-10-7-11(13(2,3)4)9-12(8-10)14-5/h7-9H,6H2,1-5H3
InChIKeyFXRWVEFOTMLSHM-UHFFFAOYSA-N
XLogP3.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-ethyl-5-methoxyphenyl)-2-methylpropan-1-ol
CID 117297890
(3-tert-butyl-5-methoxyphenyl)methanol
CID 135139096
2-(3-tert-butyl-5-methoxyphenyl)acetic acid
CID 21199158
1-tert-butyl-3-methoxy-5-[3-(4-methoxyphenyl)-3-methylbutyl]benzene
CID 135218322
1-tert-butyl-3-ethyl-5-[2-(3-ethylphenyl)-2-methylpropoxy]benzene
CID 167076425
1-ethyl-3-methoxy-5-propoxybenzene
CID 143260185
1-ethyl-3-methoxy-5-(2-methylpropyl)benzene
CID 155459307
2-[3-ethyl-5-(2-hydroxypropan-2-yl)phenyl]propan-2-ol
CID 146269671
2-[3-methoxy-5-(methoxymethyl)phenyl]-2-methylpropan-1-ol
CID 117322386
1-(3-tert-butyl-5-methoxyphenyl)propan-1-one
CID 147927308
1-ethyl-3-methoxybenzene;hydrofluoride
CID 174493623
1-methoxy-3-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)benzene
CID 121297371

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-ethyl-5-methoxybenzene?
The IUPAC name of 1-tert-butyl-3-ethyl-5-methoxybenzene (CID 154541543) is 1-tert-butyl-3-ethyl-5-methoxybenzene.
What is the SMILES notation for 1-tert-butyl-3-ethyl-5-methoxybenzene?
The canonical SMILES for 1-tert-butyl-3-ethyl-5-methoxybenzene is CCc1cc(OC)cc(C(C)(C)C)c1.
What is the InChIKey of 1-tert-butyl-3-ethyl-5-methoxybenzene?
The InChIKey is FXRWVEFOTMLSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-6-10-7-11(13(2,3)4)9-12(8-10)14-5/h7-9H,6H2,1-5H3.
What are the key properties of 1-tert-butyl-3-ethyl-5-methoxybenzene?
1-tert-butyl-3-ethyl-5-methoxybenzene has a molecular weight of 192.30 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-ethyl-5-methoxybenzene is sourced from PubChem (CID 154541543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).