1-tert-butyl-3-ethoxy-5-propan-2-ylbenzene

C15H24O — CID 155760642

IUPAC1-tert-butyl-3-ethoxy-5-propan-2-ylbenzene
SMILESCCOc1cc(C(C)C)cc(C(C)(C)C)c1
InChIInChI=1S/C15H24O/c1-7-16-14-9-12(11(2)3)8-13(10-14)15(4,5)6/h8-11H,7H2,1-6H3
InChIKeySKHFJTQVNMQMKN-UHFFFAOYSA-N
MW220.36 g/mol
LogP4.51
Rot. Bonds3

About 1-tert-butyl-3-ethoxy-5-propan-2-ylbenzene

1-tert-butyl-3-ethoxy-5-propan-2-ylbenzene (PubChem CID 155760642) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 1-tert-butyl-3-ethoxy-5-propan-2-ylbenzene.

Molecular Properties

Compound Name1-tert-butyl-3-ethoxy-5-propan-2-ylbenzene
PubChem CID155760642
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name1-tert-butyl-3-ethoxy-5-propan-2-ylbenzene
SMILESCCOc1cc(C(C)C)cc(C(C)(C)C)c1
InChIInChI=1S/C15H24O/c1-7-16-14-9-12(11(2)3)8-13(10-14)15(4,5)6/h8-11H,7H2,1-6H3
InChIKeySKHFJTQVNMQMKN-UHFFFAOYSA-N
XLogP4.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-tert-butyl-7-ethoxy-4,5,9,10-tetrahydropyrene
CID 15721429
1,3-ditert-butyl-5-[(3,5-ditert-butylphenoxy)methoxy]benzene
CID 21044549
1-(3,5-diethoxyphenyl)-2-methylpropan-1-ol
CID 70065234
1-butoxy-3,5-ditert-butylbenzene
CID 57175272
1-(3-ethoxy-5-methylphenyl)ethanol
CID 171367862
1-(3,5-ditert-butyl-4-ethoxyphenyl)ethanol
CID 82265791
2,6-ditert-butyl-4-ethoxyphenol;ethane
CID 143041042
2-methyl-N-[2-(3-methyl-5-propan-2-ylphenoxy)ethyl]butan-2-amine
CID 63515727
(1S)-1-(3-ethoxyphenyl)-2,2-dimethylpropan-1-amine
CID 94424615
2-(3-tert-butyl-5-propan-2-ylphenyl)propan-2-yl acetate
CID 118086801
2-methyl-N-[2-(3-methyl-5-propan-2-ylphenoxy)ethyl]propan-2-amine
CID 62597906
2-tert-butyl-4-ethoxy-6-propan-2-yl-1,3-benzothiazole
CID 149454922

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-ethoxy-5-propan-2-ylbenzene?
The IUPAC name of 1-tert-butyl-3-ethoxy-5-propan-2-ylbenzene (CID 155760642) is 1-tert-butyl-3-ethoxy-5-propan-2-ylbenzene.
What is the SMILES notation for 1-tert-butyl-3-ethoxy-5-propan-2-ylbenzene?
The canonical SMILES for 1-tert-butyl-3-ethoxy-5-propan-2-ylbenzene is CCOc1cc(C(C)C)cc(C(C)(C)C)c1.
What is the InChIKey of 1-tert-butyl-3-ethoxy-5-propan-2-ylbenzene?
The InChIKey is SKHFJTQVNMQMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-7-16-14-9-12(11(2)3)8-13(10-14)15(4,5)6/h8-11H,7H2,1-6H3.
What are the key properties of 1-tert-butyl-3-ethoxy-5-propan-2-ylbenzene?
1-tert-butyl-3-ethoxy-5-propan-2-ylbenzene has a molecular weight of 220.36 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-ethoxy-5-propan-2-ylbenzene is sourced from PubChem (CID 155760642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).