1-(1-hexoxyethyl)-4-phenylbenzene

C20H26O — CID 57158562

IUPAC1-(1-hexoxyethyl)-4-phenylbenzene
SMILESCCCCCCOC(C)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H26O/c1-3-4-5-9-16-21-17(2)18-12-14-20(15-13-18)19-10-7-6-8-11-19/h6-8,10-15,17H,3-5,9,16H2,1-2H3
InChIKeyBYASBYFMSNIAOT-UHFFFAOYSA-N
MW282.43 g/mol
LogP6.01
Rot. Bonds8

About 1-(1-hexoxyethyl)-4-phenylbenzene

1-(1-hexoxyethyl)-4-phenylbenzene (PubChem CID 57158562) has the molecular formula C20H26O and a molecular weight of 282.43 g/mol. Its IUPAC name is 1-(1-hexoxyethyl)-4-phenylbenzene.

Molecular Properties

Compound Name1-(1-hexoxyethyl)-4-phenylbenzene
PubChem CID57158562
Molecular FormulaC20H26O
Molecular Weight282.43 g/mol
Exact Mass282.20
IUPAC Name1-(1-hexoxyethyl)-4-phenylbenzene
SMILESCCCCCCOC(C)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H26O/c1-3-4-5-9-16-21-17(2)18-12-14-20(15-13-18)19-10-7-6-8-11-19/h6-8,10-15,17H,3-5,9,16H2,1-2H3
InChIKeyBYASBYFMSNIAOT-UHFFFAOYSA-N
XLogP6.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.43
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(1-hexadecoxyethyl)-4-phenylbenzene
CID 57138452
1-(1-octoxyethyl)-4-phenylbenzene
CID 57076117
1-(1-heptoxyethyl)-4-phenylbenzene
CID 57043639
1-phenyl-2-[4-(1-undecoxyethyl)phenyl]benzene
CID 139693626
1-pentoxyethylbenzene;hydrate
CID 174634303
1-phenyl-4-(1-propoxyethyl)benzene
CID 56976373
1-(1-decoxyethyl)-4-(4-tetradecoxyphenyl)benzene
CID 139694062
1-dodecoxy-4-[4-(1-dodecoxyethyl)phenyl]benzene
CID 139694022
1-(1-pentoxyethyl)-4-(4-tetradecoxyphenyl)benzene
CID 139693934
1-butoxy-4-[4-(1-tetradecoxyethyl)phenyl]benzene
CID 139693996
1-decoxy-4-[4-(1-hexoxyethyl)phenyl]benzene
CID 139693575
1-(1-dodecoxyethyl)-4-(4-undecoxyphenyl)benzene
CID 139693522

Frequently Asked Questions

What is the IUPAC name of 1-(1-hexoxyethyl)-4-phenylbenzene?
The IUPAC name of 1-(1-hexoxyethyl)-4-phenylbenzene (CID 57158562) is 1-(1-hexoxyethyl)-4-phenylbenzene.
What is the SMILES notation for 1-(1-hexoxyethyl)-4-phenylbenzene?
The canonical SMILES for 1-(1-hexoxyethyl)-4-phenylbenzene is CCCCCCOC(C)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-(1-hexoxyethyl)-4-phenylbenzene?
The InChIKey is BYASBYFMSNIAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O/c1-3-4-5-9-16-21-17(2)18-12-14-20(15-13-18)19-10-7-6-8-11-19/h6-8,10-15,17H,3-5,9,16H2,1-2H3.
What are the key properties of 1-(1-hexoxyethyl)-4-phenylbenzene?
1-(1-hexoxyethyl)-4-phenylbenzene has a molecular weight of 282.43 g/mol, XLogP of 6.01, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hexoxyethyl)-4-phenylbenzene is sourced from PubChem (CID 57158562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).