8-(8-phenyloctoxy)octylbenzene

C28H42O — CID 56628536

IUPAC8-(8-phenyloctoxy)octylbenzene
SMILESc1ccc(CCCCCCCCOCCCCCCCCc2ccccc2)cc1
InChIInChI=1S/C28H42O/c1(5-11-19-27-21-13-9-14-22-27)3-7-17-25-29-26-18-8-4-2-6-12-20-28-23-15-10-16-24-28/h9-10,13-16,21-24H,1-8,11-12,17-20,25-26H2
InChIKeyJCHREFRQWDNVHY-UHFFFAOYSA-N
MW394.64 g/mol
LogP8.17
Rot. Bonds18

About 8-(8-phenyloctoxy)octylbenzene

8-(8-phenyloctoxy)octylbenzene (PubChem CID 56628536) has the molecular formula C28H42O and a molecular weight of 394.64 g/mol. Its IUPAC name is 8-(8-phenyloctoxy)octylbenzene.

Molecular Properties

Compound Name8-(8-phenyloctoxy)octylbenzene
PubChem CID56628536
Molecular FormulaC28H42O
Molecular Weight394.64 g/mol
Exact Mass394.32
IUPAC Name8-(8-phenyloctoxy)octylbenzene
SMILESc1ccc(CCCCCCCCOCCCCCCCCc2ccccc2)cc1
InChIInChI=1S/C28H42O/c1(5-11-19-27-21-13-9-14-22-27)3-7-17-25-29-26-18-8-4-2-6-12-20-28-23-15-10-16-24-28/h9-10,13-16,21-24H,1-8,11-12,17-20,25-26H2
InChIKeyJCHREFRQWDNVHY-UHFFFAOYSA-N
XLogP8.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.64
LogP ≤ 58.17
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

10-butoxydecylbenzene
CID 151496754
4-(8-bromooctoxy)butylbenzene
CID 67807190
14-propoxytetradecylbenzene
CID 126562833
6-propoxyhexylbenzene
CID 54255597
4-octadecoxybutylbenzene
CID 70977182
5-pentoxypentylbenzene
CID 19046566
4-heptoxybutylbenzene;methane
CID 158099440
carbanide;4-heptoxybutylbenzene
CID 158344773
6-ethoxyhexylbenzene
CID 54300935
3-decoxypropylbenzene
CID 150065328
6-(5-phenylpentoxy)hexyl formate
CID 87852728
2-(hydroxymethyl)-2-(13-phenyltridecoxymethyl)propane-1,3-diol
CID 175512316

Frequently Asked Questions

What is the IUPAC name of 8-(8-phenyloctoxy)octylbenzene?
The IUPAC name of 8-(8-phenyloctoxy)octylbenzene (CID 56628536) is 8-(8-phenyloctoxy)octylbenzene.
What is the SMILES notation for 8-(8-phenyloctoxy)octylbenzene?
The canonical SMILES for 8-(8-phenyloctoxy)octylbenzene is c1ccc(CCCCCCCCOCCCCCCCCc2ccccc2)cc1.
What is the InChIKey of 8-(8-phenyloctoxy)octylbenzene?
The InChIKey is JCHREFRQWDNVHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H42O/c1(5-11-19-27-21-13-9-14-22-27)3-7-17-25-29-26-18-8-4-2-6-12-20-28-23-15-10-16-24-28/h9-10,13-16,21-24H,1-8,11-12,17-20,25-26H2.
What are the key properties of 8-(8-phenyloctoxy)octylbenzene?
8-(8-phenyloctoxy)octylbenzene has a molecular weight of 394.64 g/mol, XLogP of 8.17, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(8-phenyloctoxy)octylbenzene is sourced from PubChem (CID 56628536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).