1-propoxy-2-[3-[3-(2-propoxyphenyl)propoxy]propyl]benzene

C24H34O3 — CID 141096936

IUPAC1-propoxy-2-[3-[3-(2-propoxyphenyl)propoxy]propyl]benzene
SMILESCCCOc1ccccc1CCCOCCCc1ccccc1OCCC
InChIInChI=1S/C24H34O3/c1-3-17-26-23-15-7-5-11-21(23)13-9-19-25-20-10-14-22-12-6-8-16-24(22)27-18-4-2/h5-8,11-12,15-16H,3-4,9-10,13-14,17-20H2,1-2H3
InChIKeyDQCMWTPDNGZIAL-UHFFFAOYSA-N
MW370.53 g/mol
LogP5.85
Rot. Bonds14

About 1-propoxy-2-[3-[3-(2-propoxyphenyl)propoxy]propyl]benzene

1-propoxy-2-[3-[3-(2-propoxyphenyl)propoxy]propyl]benzene (PubChem CID 141096936) has the molecular formula C24H34O3 and a molecular weight of 370.53 g/mol. Its IUPAC name is 1-propoxy-2-[3-[3-(2-propoxyphenyl)propoxy]propyl]benzene.

Molecular Properties

Compound Name1-propoxy-2-[3-[3-(2-propoxyphenyl)propoxy]propyl]benzene
PubChem CID141096936
Molecular FormulaC24H34O3
Molecular Weight370.53 g/mol
Exact Mass370.25
IUPAC Name1-propoxy-2-[3-[3-(2-propoxyphenyl)propoxy]propyl]benzene
SMILESCCCOc1ccccc1CCCOCCCc1ccccc1OCCC
InChIInChI=1S/C24H34O3/c1-3-17-26-23-15-7-5-11-21(23)13-9-19-25-20-10-14-22-12-6-8-16-24(22)27-18-4-2/h5-8,11-12,15-16H,3-4,9-10,13-14,17-20H2,1-2H3
InChIKeyDQCMWTPDNGZIAL-UHFFFAOYSA-N
XLogP5.85
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 ≤ 55.85
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 139667656
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CID 139667653
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3-(2-pentoxyphenyl)propan-1-ol
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bis[2-(3-butoxypropyl)phenyl] carbonate
CID 141468319
1-(bromomethyl)-2-propoxybenzene
CID 43141572
1-ethoxy-2-[2-[2-(2-ethoxyphenyl)ethoxy]ethyl]benzene
CID 141096945
2-(2-dodecylphenoxy)ethanol
CID 14475097
[2-(2-butoxyethoxy)phenyl]methanol
CID 29003825
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CID 3045706

Frequently Asked Questions

What is the IUPAC name of 1-propoxy-2-[3-[3-(2-propoxyphenyl)propoxy]propyl]benzene?
The IUPAC name of 1-propoxy-2-[3-[3-(2-propoxyphenyl)propoxy]propyl]benzene (CID 141096936) is 1-propoxy-2-[3-[3-(2-propoxyphenyl)propoxy]propyl]benzene.
What is the SMILES notation for 1-propoxy-2-[3-[3-(2-propoxyphenyl)propoxy]propyl]benzene?
The canonical SMILES for 1-propoxy-2-[3-[3-(2-propoxyphenyl)propoxy]propyl]benzene is CCCOc1ccccc1CCCOCCCc1ccccc1OCCC.
What is the InChIKey of 1-propoxy-2-[3-[3-(2-propoxyphenyl)propoxy]propyl]benzene?
The InChIKey is DQCMWTPDNGZIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34O3/c1-3-17-26-23-15-7-5-11-21(23)13-9-19-25-20-10-14-22-12-6-8-16-24(22)27-18-4-2/h5-8,11-12,15-16H,3-4,9-10,13-14,17-20H2,1-2H3.
What are the key properties of 1-propoxy-2-[3-[3-(2-propoxyphenyl)propoxy]propyl]benzene?
1-propoxy-2-[3-[3-(2-propoxyphenyl)propoxy]propyl]benzene has a molecular weight of 370.53 g/mol, XLogP of 5.85, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propoxy-2-[3-[3-(2-propoxyphenyl)propoxy]propyl]benzene is sourced from PubChem (CID 141096936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).