[2-methoxy-5-(4-methoxy-5-phenylpentoxy)pentyl]benzene

C24H34O3 — CID 141293337

IUPAC[2-methoxy-5-(4-methoxy-5-phenylpentoxy)pentyl]benzene
SMILESCOC(CCCOCCCC(Cc1ccccc1)OC)Cc1ccccc1
InChIInChI=1S/C24H34O3/c1-25-23(19-21-11-5-3-6-12-21)15-9-17-27-18-10-16-24(26-2)20-22-13-7-4-8-14-22/h3-8,11-14,23-24H,9-10,15-20H2,1-2H3
InChIKeyBTAYMYBMCIEPRN-UHFFFAOYSA-N
MW370.53 g/mol
LogP5.08
Rot. Bonds14

About [2-methoxy-5-(4-methoxy-5-phenylpentoxy)pentyl]benzene

[2-methoxy-5-(4-methoxy-5-phenylpentoxy)pentyl]benzene (PubChem CID 141293337) has the molecular formula C24H34O3 and a molecular weight of 370.53 g/mol. Its IUPAC name is [2-methoxy-5-(4-methoxy-5-phenylpentoxy)pentyl]benzene.

Molecular Properties

Compound Name[2-methoxy-5-(4-methoxy-5-phenylpentoxy)pentyl]benzene
PubChem CID141293337
Molecular FormulaC24H34O3
Molecular Weight370.53 g/mol
Exact Mass370.25
IUPAC Name[2-methoxy-5-(4-methoxy-5-phenylpentoxy)pentyl]benzene
SMILESCOC(CCCOCCCC(Cc1ccccc1)OC)Cc1ccccc1
InChIInChI=1S/C24H34O3/c1-25-23(19-21-11-5-3-6-12-21)15-9-17-27-18-10-16-24(26-2)20-22-13-7-4-8-14-22/h3-8,11-14,23-24H,9-10,15-20H2,1-2H3
InChIKeyBTAYMYBMCIEPRN-UHFFFAOYSA-N
XLogP5.08
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.53
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 102054372
(2R)-2-methoxy-3-phenylpropan-1-ol
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CID 62608693
[(2S)-2-bromo-7-[(6S)-6-bromo-7-phenylheptoxy]heptyl]benzene
CID 98097112
2-benzyl-5-ethoxypentan-1-amine
CID 65180415
(4-hydroperoxy-4-methoxybutoxy)methylbenzene
CID 102051032
5-ethoxy-N-methyl-1-phenylpentan-2-amine
CID 105084642
2-methoxy-3-phenylpropane-1-sulfonyl chloride
CID 115046417
1,3-diphenylpropan-2-yloxybenzene
CID 54221058
1-methoxy-3-(2-methoxyhexyl)benzene
CID 122208727
N-[2-benzyl-5-(2-methoxyethoxy)pentyl]cyclopropanamine
CID 103412311
[4-methoxy-2-(2-methoxyethyl)butyl]benzene
CID 175035100

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-5-(4-methoxy-5-phenylpentoxy)pentyl]benzene?
The IUPAC name of [2-methoxy-5-(4-methoxy-5-phenylpentoxy)pentyl]benzene (CID 141293337) is [2-methoxy-5-(4-methoxy-5-phenylpentoxy)pentyl]benzene.
What is the SMILES notation for [2-methoxy-5-(4-methoxy-5-phenylpentoxy)pentyl]benzene?
The canonical SMILES for [2-methoxy-5-(4-methoxy-5-phenylpentoxy)pentyl]benzene is COC(CCCOCCCC(Cc1ccccc1)OC)Cc1ccccc1.
What is the InChIKey of [2-methoxy-5-(4-methoxy-5-phenylpentoxy)pentyl]benzene?
The InChIKey is BTAYMYBMCIEPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34O3/c1-25-23(19-21-11-5-3-6-12-21)15-9-17-27-18-10-16-24(26-2)20-22-13-7-4-8-14-22/h3-8,11-14,23-24H,9-10,15-20H2,1-2H3.
What are the key properties of [2-methoxy-5-(4-methoxy-5-phenylpentoxy)pentyl]benzene?
[2-methoxy-5-(4-methoxy-5-phenylpentoxy)pentyl]benzene has a molecular weight of 370.53 g/mol, XLogP of 5.08, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-5-(4-methoxy-5-phenylpentoxy)pentyl]benzene is sourced from PubChem (CID 141293337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).