1-(1-ethoxyethyl)-4-(4-hexoxyphenyl)benzene

C22H30O2 — CID 139693966

IUPAC1-(1-ethoxyethyl)-4-(4-hexoxyphenyl)benzene
SMILESCCCCCCOc1ccc(-c2ccc(C(C)OCC)cc2)cc1
InChIInChI=1S/C22H30O2/c1-4-6-7-8-17-24-22-15-13-21(14-16-22)20-11-9-19(10-12-20)18(3)23-5-2/h9-16,18H,4-8,17H2,1-3H3
InChIKeyXMXHOAHUTBNACK-UHFFFAOYSA-N
MW326.48 g/mol
LogP6.41
Rot. Bonds10

About 1-(1-ethoxyethyl)-4-(4-hexoxyphenyl)benzene

1-(1-ethoxyethyl)-4-(4-hexoxyphenyl)benzene (PubChem CID 139693966) has the molecular formula C22H30O2 and a molecular weight of 326.48 g/mol. Its IUPAC name is 1-(1-ethoxyethyl)-4-(4-hexoxyphenyl)benzene.

Molecular Properties

Compound Name1-(1-ethoxyethyl)-4-(4-hexoxyphenyl)benzene
PubChem CID139693966
Molecular FormulaC22H30O2
Molecular Weight326.48 g/mol
Exact Mass326.22
IUPAC Name1-(1-ethoxyethyl)-4-(4-hexoxyphenyl)benzene
SMILESCCCCCCOc1ccc(-c2ccc(C(C)OCC)cc2)cc1
InChIInChI=1S/C22H30O2/c1-4-6-7-8-17-24-22-15-13-21(14-16-22)20-11-9-19(10-12-20)18(3)23-5-2/h9-16,18H,4-8,17H2,1-3H3
InChIKeyXMXHOAHUTBNACK-UHFFFAOYSA-N
XLogP6.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.48
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-butoxy-4-[4-(1-tetradecoxyethyl)phenyl]benzene
CID 139693996
1-nonoxy-4-[4-(1-nonoxyethyl)phenyl]benzene
CID 139693545
1-decoxy-4-[4-(1-hexoxyethyl)phenyl]benzene
CID 139693575
1-(1-dodecoxyethyl)-4-(4-undecoxyphenyl)benzene
CID 139693522
1-dodecoxy-4-[4-(1-dodecoxyethyl)phenyl]benzene
CID 139694022
1-(1-pentoxyethyl)-4-(4-tetradecoxyphenyl)benzene
CID 139693934
1-(1-decoxyethyl)-4-(4-tetradecoxyphenyl)benzene
CID 139694062
1-octoxy-4-[4-(1-tetradecoxyethyl)phenyl]benzene
CID 139693484
1-(1-butoxyethyl)-4-(4-heptoxyphenyl)benzene
CID 139693505
1-heptoxy-4-[4-(1-tridecoxyethyl)phenyl]benzene
CID 139694064
1-(1-decoxyethyl)-4-(4-hexoxyphenyl)benzene
CID 139693548
1-(1-pentoxyethyl)-4-(4-tridecoxyphenyl)benzene
CID 139693623

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxyethyl)-4-(4-hexoxyphenyl)benzene?
The IUPAC name of 1-(1-ethoxyethyl)-4-(4-hexoxyphenyl)benzene (CID 139693966) is 1-(1-ethoxyethyl)-4-(4-hexoxyphenyl)benzene.
What is the SMILES notation for 1-(1-ethoxyethyl)-4-(4-hexoxyphenyl)benzene?
The canonical SMILES for 1-(1-ethoxyethyl)-4-(4-hexoxyphenyl)benzene is CCCCCCOc1ccc(-c2ccc(C(C)OCC)cc2)cc1.
What is the InChIKey of 1-(1-ethoxyethyl)-4-(4-hexoxyphenyl)benzene?
The InChIKey is XMXHOAHUTBNACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30O2/c1-4-6-7-8-17-24-22-15-13-21(14-16-22)20-11-9-19(10-12-20)18(3)23-5-2/h9-16,18H,4-8,17H2,1-3H3.
What are the key properties of 1-(1-ethoxyethyl)-4-(4-hexoxyphenyl)benzene?
1-(1-ethoxyethyl)-4-(4-hexoxyphenyl)benzene has a molecular weight of 326.48 g/mol, XLogP of 6.41, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxyethyl)-4-(4-hexoxyphenyl)benzene is sourced from PubChem (CID 139693966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).