1-(8-methoxyoctyl)-4-phenylmethoxybenzene

C22H30O2 — CID 15052396

IUPAC1-(8-methoxyoctyl)-4-phenylmethoxybenzene
SMILESCOCCCCCCCCc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C22H30O2/c1-23-18-10-5-3-2-4-7-11-20-14-16-22(17-15-20)24-19-21-12-8-6-9-13-21/h6,8-9,12-17H,2-5,7,10-11,18-19H2,1H3
InChIKeyBIAVPMNOQMBBEU-UHFFFAOYSA-N
MW326.48 g/mol
LogP5.80
Rot. Bonds12

About 1-(8-methoxyoctyl)-4-phenylmethoxybenzene

1-(8-methoxyoctyl)-4-phenylmethoxybenzene (PubChem CID 15052396) has the molecular formula C22H30O2 and a molecular weight of 326.48 g/mol. Its IUPAC name is 1-(8-methoxyoctyl)-4-phenylmethoxybenzene.

Molecular Properties

Compound Name1-(8-methoxyoctyl)-4-phenylmethoxybenzene
PubChem CID15052396
Molecular FormulaC22H30O2
Molecular Weight326.48 g/mol
Exact Mass326.22
IUPAC Name1-(8-methoxyoctyl)-4-phenylmethoxybenzene
SMILESCOCCCCCCCCc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C22H30O2/c1-23-18-10-5-3-2-4-7-11-20-14-16-22(17-15-20)24-19-21-12-8-6-9-13-21/h6,8-9,12-17H,2-5,7,10-11,18-19H2,1H3
InChIKeyBIAVPMNOQMBBEU-UHFFFAOYSA-N
XLogP5.80
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.48
LogP ≤ 55.80
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-(3-methoxypropyl)-4-phenylmethoxybenzene
CID 70548198
7-methoxyheptylbenzene
CID 54276867
1-phenylmethoxy-4-[9-(4-phenylmethoxyphenoxy)nonoxy]benzene
CID 43835980
5-(4-phenylmethoxyphenyl)pentyl formate
CID 87852449
3-methoxypropyl-[4-(4-phenylmethoxyphenoxy)butyl]azanium
CID 7381462
1-hexyl-4-(6-phenylhexoxy)benzene
CID 91256527
1,4-bis(6-phenoxyhexyl)benzene
CID 86175301
1-(2-methoxyethyl)-3-[3-(4-phenylmethoxyphenyl)propyl]urea
CID 110421761
6-(4-phenylmethoxyphenyl)hexanoic acid
CID 138486172
1-ethyl-4-(4-phenylbutoxy)benzene
CID 71034747
1-(3-fluoropropyl)-4-phenylmethoxybenzene
CID 83932928
methyl 3-[[4-[6-(4-phenylmethoxyphenoxy)hexyl]benzoyl]amino]propanoate
CID 67485483

Frequently Asked Questions

What is the IUPAC name of 1-(8-methoxyoctyl)-4-phenylmethoxybenzene?
The IUPAC name of 1-(8-methoxyoctyl)-4-phenylmethoxybenzene (CID 15052396) is 1-(8-methoxyoctyl)-4-phenylmethoxybenzene.
What is the SMILES notation for 1-(8-methoxyoctyl)-4-phenylmethoxybenzene?
The canonical SMILES for 1-(8-methoxyoctyl)-4-phenylmethoxybenzene is COCCCCCCCCc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 1-(8-methoxyoctyl)-4-phenylmethoxybenzene?
The InChIKey is BIAVPMNOQMBBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30O2/c1-23-18-10-5-3-2-4-7-11-20-14-16-22(17-15-20)24-19-21-12-8-6-9-13-21/h6,8-9,12-17H,2-5,7,10-11,18-19H2,1H3.
What are the key properties of 1-(8-methoxyoctyl)-4-phenylmethoxybenzene?
1-(8-methoxyoctyl)-4-phenylmethoxybenzene has a molecular weight of 326.48 g/mol, XLogP of 5.80, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-methoxyoctyl)-4-phenylmethoxybenzene is sourced from PubChem (CID 15052396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).