1-butan-2-yl-4-(1-ethoxyethoxy)-2-(1-methoxyethoxy)benzene

C17H28O4 — CID 168757602

IUPAC1-butan-2-yl-4-(1-ethoxyethoxy)-2-(1-methoxyethoxy)benzene
SMILESCCOC(C)Oc1ccc(C(C)CC)c(OC(C)OC)c1
InChIInChI=1S/C17H28O4/c1-7-12(3)16-10-9-15(20-14(5)19-8-2)11-17(16)21-13(4)18-6/h9-14H,7-8H2,1-6H3
InChIKeyOUPSGGOAZFKPFY-UHFFFAOYSA-N
MW296.41 g/mol
LogP4.33
Rot. Bonds9

About 1-butan-2-yl-4-(1-ethoxyethoxy)-2-(1-methoxyethoxy)benzene

1-butan-2-yl-4-(1-ethoxyethoxy)-2-(1-methoxyethoxy)benzene (PubChem CID 168757602) has the molecular formula C17H28O4 and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-butan-2-yl-4-(1-ethoxyethoxy)-2-(1-methoxyethoxy)benzene.

Molecular Properties

Compound Name1-butan-2-yl-4-(1-ethoxyethoxy)-2-(1-methoxyethoxy)benzene
PubChem CID168757602
Molecular FormulaC17H28O4
Molecular Weight296.41 g/mol
Exact Mass296.20
IUPAC Name1-butan-2-yl-4-(1-ethoxyethoxy)-2-(1-methoxyethoxy)benzene
SMILESCCOC(C)Oc1ccc(C(C)CC)c(OC(C)OC)c1
InChIInChI=1S/C17H28O4/c1-7-12(3)16-10-9-15(20-14(5)19-8-2)11-17(16)21-13(4)18-6/h9-14H,7-8H2,1-6H3
InChIKeyOUPSGGOAZFKPFY-UHFFFAOYSA-N
XLogP4.33
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-butan-2-yl-1,4-bis(1-ethoxyethoxy)benzene
CID 164764954
1,4-bis(1-ethoxyethoxy)benzene
CID 10934047
2-ethenyl-1,4-bis(1-ethoxyethoxy)benzene
CID 102247848
lithium [2,4-bis(1-ethoxyethoxy)phenyl]phosphanyl-(2,4,6-trimethoxyphenyl)methanone
CID 18513827
1,4-bis[bis[4-(1-ethoxyethoxy)phenyl]methyl]benzene
CID 90276539
4-(1-ethoxyethoxy)aniline
CID 139920192
1-butan-2-yl-4-(1-ethoxyethoxy)benzene;4-butan-2-ylphenol;(4-butan-2-ylphenyl) methyl carbonate
CID 91394144
1-(1-ethoxyethoxy)-4-[4-(1-ethoxyethoxy)phenyl]tellanylbenzene
CID 140901390
1,2-dibromo-5-ethoxy-3-(1-ethoxyethoxy)benzene
CID 174187739
[4-(1-ethoxyethoxy)-2-methylphenyl]phosphanyl-(2,4,6-trimethoxyphenyl)methanone
CID 70016913
1-[1,1-bis[4-(1-ethoxyethoxy)phenyl]ethyl]-4-(1-ethoxyethoxy)benzene
CID 22726285
4-ethoxy-2-methoxy-1-propan-2-ylbenzene
CID 176811601

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-4-(1-ethoxyethoxy)-2-(1-methoxyethoxy)benzene?
The IUPAC name of 1-butan-2-yl-4-(1-ethoxyethoxy)-2-(1-methoxyethoxy)benzene (CID 168757602) is 1-butan-2-yl-4-(1-ethoxyethoxy)-2-(1-methoxyethoxy)benzene.
What is the SMILES notation for 1-butan-2-yl-4-(1-ethoxyethoxy)-2-(1-methoxyethoxy)benzene?
The canonical SMILES for 1-butan-2-yl-4-(1-ethoxyethoxy)-2-(1-methoxyethoxy)benzene is CCOC(C)Oc1ccc(C(C)CC)c(OC(C)OC)c1.
What is the InChIKey of 1-butan-2-yl-4-(1-ethoxyethoxy)-2-(1-methoxyethoxy)benzene?
The InChIKey is OUPSGGOAZFKPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O4/c1-7-12(3)16-10-9-15(20-14(5)19-8-2)11-17(16)21-13(4)18-6/h9-14H,7-8H2,1-6H3.
What are the key properties of 1-butan-2-yl-4-(1-ethoxyethoxy)-2-(1-methoxyethoxy)benzene?
1-butan-2-yl-4-(1-ethoxyethoxy)-2-(1-methoxyethoxy)benzene has a molecular weight of 296.41 g/mol, XLogP of 4.33, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-4-(1-ethoxyethoxy)-2-(1-methoxyethoxy)benzene is sourced from PubChem (CID 168757602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).