4-(4-phenoxybutoxy)butoxybenzene

C20H26O3 — CID 22399981

IUPAC4-(4-phenoxybutoxy)butoxybenzene
SMILESc1ccc(OCCCCOCCCCOc2ccccc2)cc1
InChIInChI=1S/C20H26O3/c1-3-11-19(12-4-1)22-17-9-7-15-21-16-8-10-18-23-20-13-5-2-6-14-20/h1-6,11-14H,7-10,15-18H2
InChIKeyDYALQEYMGQOBRF-UHFFFAOYSA-N
MW314.43 g/mol
LogP4.72
Rot. Bonds12

About 4-(4-phenoxybutoxy)butoxybenzene

4-(4-phenoxybutoxy)butoxybenzene (PubChem CID 22399981) has the molecular formula C20H26O3 and a molecular weight of 314.43 g/mol. Its IUPAC name is 4-(4-phenoxybutoxy)butoxybenzene.

Molecular Properties

Compound Name4-(4-phenoxybutoxy)butoxybenzene
PubChem CID22399981
Molecular FormulaC20H26O3
Molecular Weight314.43 g/mol
Exact Mass314.19
IUPAC Name4-(4-phenoxybutoxy)butoxybenzene
SMILESc1ccc(OCCCCOCCCCOc2ccccc2)cc1
InChIInChI=1S/C20H26O3/c1-3-11-19(12-4-1)22-17-9-7-15-21-16-8-10-18-23-20-13-5-2-6-14-20/h1-6,11-14H,7-10,15-18H2
InChIKeyDYALQEYMGQOBRF-UHFFFAOYSA-N
XLogP4.72
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 54.72
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

3-(4-phenoxybutoxy)propan-1-amine
CID 82352658
5-(4-phenoxybutoxy)pentan-1-amine
CID 82352887
2-pentoxyethoxybenzene
CID 54431229
2-(5-chloropentoxy)ethoxybenzene
CID 43348433
4-(2,2,2-trifluoroethoxy)butoxybenzene
CID 23282430
2-(3-chloropropoxy)ethoxybenzene
CID 24689326
2-dodecoxyethoxybenzene
CID 67831231
2-[2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxybenzene
CID 22762214
3-[2-(2-phenoxyethoxy)ethoxy]propan-1-amine
CID 21297450
3-[2-(3-phenoxypropoxy)ethoxy]propan-1-ol
CID 23045273
2-(3-bromopropoxy)ethoxybenzene
CID 43135436
pentoxybenzene;undecane
CID 174778179

Frequently Asked Questions

What is the IUPAC name of 4-(4-phenoxybutoxy)butoxybenzene?
The IUPAC name of 4-(4-phenoxybutoxy)butoxybenzene (CID 22399981) is 4-(4-phenoxybutoxy)butoxybenzene.
What is the SMILES notation for 4-(4-phenoxybutoxy)butoxybenzene?
The canonical SMILES for 4-(4-phenoxybutoxy)butoxybenzene is c1ccc(OCCCCOCCCCOc2ccccc2)cc1.
What is the InChIKey of 4-(4-phenoxybutoxy)butoxybenzene?
The InChIKey is DYALQEYMGQOBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O3/c1-3-11-19(12-4-1)22-17-9-7-15-21-16-8-10-18-23-20-13-5-2-6-14-20/h1-6,11-14H,7-10,15-18H2.
What are the key properties of 4-(4-phenoxybutoxy)butoxybenzene?
4-(4-phenoxybutoxy)butoxybenzene has a molecular weight of 314.43 g/mol, XLogP of 4.72, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenoxybutoxy)butoxybenzene is sourced from PubChem (CID 22399981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).