2-tert-butyl-1-ethyl-4-propan-2-yl-3-propan-2-yloxybenzene

C18H30O — CID 159108769

IUPAC2-tert-butyl-1-ethyl-4-propan-2-yl-3-propan-2-yloxybenzene
SMILESCCc1ccc(C(C)C)c(OC(C)C)c1C(C)(C)C
InChIInChI=1S/C18H30O/c1-9-14-10-11-15(12(2)3)17(19-13(4)5)16(14)18(6,7)8/h10-13H,9H2,1-8H3
InChIKeyUBKJNXBELUUPQH-UHFFFAOYSA-N
MW262.44 g/mol
LogP5.46
Rot. Bonds4

About 2-tert-butyl-1-ethyl-4-propan-2-yl-3-propan-2-yloxybenzene

2-tert-butyl-1-ethyl-4-propan-2-yl-3-propan-2-yloxybenzene (PubChem CID 159108769) has the molecular formula C18H30O and a molecular weight of 262.44 g/mol. Its IUPAC name is 2-tert-butyl-1-ethyl-4-propan-2-yl-3-propan-2-yloxybenzene.

Molecular Properties

Compound Name2-tert-butyl-1-ethyl-4-propan-2-yl-3-propan-2-yloxybenzene
PubChem CID159108769
Molecular FormulaC18H30O
Molecular Weight262.44 g/mol
Exact Mass262.23
IUPAC Name2-tert-butyl-1-ethyl-4-propan-2-yl-3-propan-2-yloxybenzene
SMILESCCc1ccc(C(C)C)c(OC(C)C)c1C(C)(C)C
InChIInChI=1S/C18H30O/c1-9-14-10-11-15(12(2)3)17(19-13(4)5)16(14)18(6,7)8/h10-13H,9H2,1-8H3
InChIKeyUBKJNXBELUUPQH-UHFFFAOYSA-N
XLogP5.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.44
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-tert-butyl-1-ethyl-4-propan-2-yl-3-propan-2-yloxybenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-3-propan-2-yl-2-propan-2-yloxy-5-(2,3,3-trimethylbutan-2-yl)benzene
CID 159608044
1-tert-butyl-5-ethyl-3-propan-2-yl-2-propan-2-yloxybenzene
CID 159607362
1,3-di(propan-2-yl)-2-propan-2-yloxybenzene;ethoxyethane
CID 67998176
1-ethyl-2-methoxy-4-propan-2-yl-3-(trifluoromethyl)benzene
CID 176934964
1-[[3,4-di(propan-2-yl)-2-propan-2-yloxyphenyl]methoxymethyl]-3,4-di(propan-2-yl)-2-propan-2-yloxybenzene
CID 174371196
1-tert-butyl-2-ethyl-5-propan-2-yl-4-propan-2-yloxybenzene;1-ethyl-2-methyl-4-propan-2-yl-5-propan-2-yloxybenzene
CID 158446032
2-(2-amino-2-methylpropyl)-6-ethyl-3-propan-2-ylphenol
CID 117343674
3-ethyl-2-methoxy-6-propan-2-ylbenzonitrile
CID 117291786
1-ethyl-2,3-dimethyl-4-propan-2-ylbenzene
CID 145053588
1,2-ditert-butyl-3-hydroperoxy-4-propan-2-ylbenzene
CID 22447154
1-(2-ethyl-4-propan-2-yloxyphenyl)ethanamine
CID 82267415
2,3-ditert-butyl-4-ethylphenol
CID 18994457

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-ethyl-4-propan-2-yl-3-propan-2-yloxybenzene?
The IUPAC name of 2-tert-butyl-1-ethyl-4-propan-2-yl-3-propan-2-yloxybenzene (CID 159108769) is 2-tert-butyl-1-ethyl-4-propan-2-yl-3-propan-2-yloxybenzene.
What is the SMILES notation for 2-tert-butyl-1-ethyl-4-propan-2-yl-3-propan-2-yloxybenzene?
The canonical SMILES for 2-tert-butyl-1-ethyl-4-propan-2-yl-3-propan-2-yloxybenzene is CCc1ccc(C(C)C)c(OC(C)C)c1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-1-ethyl-4-propan-2-yl-3-propan-2-yloxybenzene?
The InChIKey is UBKJNXBELUUPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O/c1-9-14-10-11-15(12(2)3)17(19-13(4)5)16(14)18(6,7)8/h10-13H,9H2,1-8H3.
What are the key properties of 2-tert-butyl-1-ethyl-4-propan-2-yl-3-propan-2-yloxybenzene?
2-tert-butyl-1-ethyl-4-propan-2-yl-3-propan-2-yloxybenzene has a molecular weight of 262.44 g/mol, XLogP of 5.46, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-ethyl-4-propan-2-yl-3-propan-2-yloxybenzene is sourced from PubChem (CID 159108769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).