1-tert-butyl-4-(2-methoxyethyl)benzene

C13H20O — CID 67201808

IUPAC1-tert-butyl-4-(2-methoxyethyl)benzene
SMILESCOCCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C13H20O/c1-13(2,3)12-7-5-11(6-8-12)9-10-14-4/h5-8H,9-10H2,1-4H3
InChIKeyNMMILMQJMRMEFB-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.17
Rot. Bonds3

About 1-tert-butyl-4-(2-methoxyethyl)benzene

1-tert-butyl-4-(2-methoxyethyl)benzene (PubChem CID 67201808) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 1-tert-butyl-4-(2-methoxyethyl)benzene.

Molecular Properties

Compound Name1-tert-butyl-4-(2-methoxyethyl)benzene
PubChem CID67201808
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name1-tert-butyl-4-(2-methoxyethyl)benzene
SMILESCOCCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C13H20O/c1-13(2,3)12-7-5-11(6-8-12)9-10-14-4/h5-8H,9-10H2,1-4H3
InChIKeyNMMILMQJMRMEFB-UHFFFAOYSA-N
XLogP3.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-tert-butylphenyl)ethyl-trimethoxysilane
CID 139668437
2-methoxyethylbenzene
CID 19089
1-(4-tert-butylphenyl)-4-methoxybutan-2-one
CID 62619886
1-ethyl-4-[4-(2-methoxyethyl)phenyl]benzene
CID 71122452
1-(2-methoxyethyl)-4-(2-methylpropyl)benzene
CID 67638248
1-tert-butyl-4-[4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]phenyl]benzene
CID 140908011
4-[4-(2-methoxyethyl)phenyl]phenol
CID 174937616
[4-[4-(2-methoxyethyl)phenyl]phenyl]methanamine
CID 61034030
1-ethenyl-4-(2-methoxyethyl)benzene
CID 66598261
potassium trifluoro-[4-(2-methoxyethyl)phenyl]boranuide
CID 63676993
4-[2-(4-tert-butylphenyl)ethoxy]-5-methoxy-6-(methoxymethyl)pyrimidine
CID 67839148
1-ethylsulfanyl-4-(2-methoxyethyl)benzene
CID 134320195

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(2-methoxyethyl)benzene?
The IUPAC name of 1-tert-butyl-4-(2-methoxyethyl)benzene (CID 67201808) is 1-tert-butyl-4-(2-methoxyethyl)benzene.
What is the SMILES notation for 1-tert-butyl-4-(2-methoxyethyl)benzene?
The canonical SMILES for 1-tert-butyl-4-(2-methoxyethyl)benzene is COCCc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-tert-butyl-4-(2-methoxyethyl)benzene?
The InChIKey is NMMILMQJMRMEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-13(2,3)12-7-5-11(6-8-12)9-10-14-4/h5-8H,9-10H2,1-4H3.
What are the key properties of 1-tert-butyl-4-(2-methoxyethyl)benzene?
1-tert-butyl-4-(2-methoxyethyl)benzene has a molecular weight of 192.30 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(2-methoxyethyl)benzene is sourced from PubChem (CID 67201808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).