1-butan-2-yl-4-(2-ethoxypropan-2-yloxy)benzene

C15H24O2 — CID 21053289

IUPAC1-butan-2-yl-4-(2-ethoxypropan-2-yloxy)benzene
SMILESCCOC(C)(C)Oc1ccc(C(C)CC)cc1
InChIInChI=1S/C15H24O2/c1-6-12(3)13-8-10-14(11-9-13)17-15(4,5)16-7-2/h8-12H,6-7H2,1-5H3
InChIKeyHJHCHDYLYMVITR-UHFFFAOYSA-N
MW236.35 g/mol
LogP4.35
Rot. Bonds6

About 1-butan-2-yl-4-(2-ethoxypropan-2-yloxy)benzene

1-butan-2-yl-4-(2-ethoxypropan-2-yloxy)benzene (PubChem CID 21053289) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 1-butan-2-yl-4-(2-ethoxypropan-2-yloxy)benzene.

Molecular Properties

Compound Name1-butan-2-yl-4-(2-ethoxypropan-2-yloxy)benzene
PubChem CID21053289
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name1-butan-2-yl-4-(2-ethoxypropan-2-yloxy)benzene
SMILESCCOC(C)(C)Oc1ccc(C(C)CC)cc1
InChIInChI=1S/C15H24O2/c1-6-12(3)13-8-10-14(11-9-13)17-15(4,5)16-7-2/h8-12H,6-7H2,1-5H3
InChIKeyHJHCHDYLYMVITR-UHFFFAOYSA-N
XLogP4.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-butan-2-yl-4-(2,4,4-trimethylpentan-2-yloxy)benzene
CID 129038236
1-butan-2-yl-4-(3,3-dimethylbutan-2-yloxy)benzene
CID 159159765
3-(4-butan-2-ylphenoxy)-2,2-dimethylpropane-1-thiol
CID 107669469
1-butan-2-yl-4-propan-2-yloxybenzene
CID 18730967
1-butan-2-yl-4-(3,3-dimethylbutoxy)benzene
CID 70947393
1-butan-2-yl-4-(2-methylbutan-2-yl)benzene
CID 54072029
(4-butan-2-ylphenyl)-(4-methoxyphenyl)methanamine
CID 43198098
2-(4-butan-2-ylphenoxy)propan-1-ol
CID 54018787
1-[(2-methylpropan-2-yl)oxy]-4-(4-phenylhexan-2-yl)benzene
CID 134214907
tert-butyl 2-(4-butan-2-ylphenoxy)acetate
CID 18731020
4-N-(4-butan-2-ylphenyl)-4-N-(4-methoxyphenyl)-1-N,1-N-diphenylbenzene-1,4-diamine
CID 122451360
2-(4-butan-2-ylphenoxy)-N-methylethanamine
CID 107664179

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-4-(2-ethoxypropan-2-yloxy)benzene?
The IUPAC name of 1-butan-2-yl-4-(2-ethoxypropan-2-yloxy)benzene (CID 21053289) is 1-butan-2-yl-4-(2-ethoxypropan-2-yloxy)benzene.
What is the SMILES notation for 1-butan-2-yl-4-(2-ethoxypropan-2-yloxy)benzene?
The canonical SMILES for 1-butan-2-yl-4-(2-ethoxypropan-2-yloxy)benzene is CCOC(C)(C)Oc1ccc(C(C)CC)cc1.
What is the InChIKey of 1-butan-2-yl-4-(2-ethoxypropan-2-yloxy)benzene?
The InChIKey is HJHCHDYLYMVITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-6-12(3)13-8-10-14(11-9-13)17-15(4,5)16-7-2/h8-12H,6-7H2,1-5H3.
What are the key properties of 1-butan-2-yl-4-(2-ethoxypropan-2-yloxy)benzene?
1-butan-2-yl-4-(2-ethoxypropan-2-yloxy)benzene has a molecular weight of 236.35 g/mol, XLogP of 4.35, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-4-(2-ethoxypropan-2-yloxy)benzene is sourced from PubChem (CID 21053289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).