3-[2-(3-phenoxypropoxy)ethoxy]propan-1-ol

C14H22O4 — CID 23045273

IUPAC3-[2-(3-phenoxypropoxy)ethoxy]propan-1-ol
SMILESOCCCOCCOCCCOc1ccccc1
InChIInChI=1S/C14H22O4/c15-8-4-9-16-12-13-17-10-5-11-18-14-6-2-1-3-7-14/h1-3,6-7,15H,4-5,8-13H2
InChIKeyHEIALYYBQIBLBG-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.87
Rot. Bonds11

About 3-[2-(3-phenoxypropoxy)ethoxy]propan-1-ol

3-[2-(3-phenoxypropoxy)ethoxy]propan-1-ol (PubChem CID 23045273) has the molecular formula C14H22O4 and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-[2-(3-phenoxypropoxy)ethoxy]propan-1-ol.

Molecular Properties

Compound Name3-[2-(3-phenoxypropoxy)ethoxy]propan-1-ol
PubChem CID23045273
Molecular FormulaC14H22O4
Molecular Weight254.33 g/mol
Exact Mass254.15
IUPAC Name3-[2-(3-phenoxypropoxy)ethoxy]propan-1-ol
SMILESOCCCOCCOCCCOc1ccccc1
InChIInChI=1S/C14H22O4/c15-8-4-9-16-12-13-17-10-5-11-18-14-6-2-1-3-7-14/h1-3,6-7,15H,4-5,8-13H2
InChIKeyHEIALYYBQIBLBG-UHFFFAOYSA-N
XLogP1.87
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-phenoxyethoxy)ethanol
CID 7715
4-(4-phenoxybutoxy)butoxybenzene
CID 22399981
2-(2-phenoxyethoxy)ethanol;hydrate
CID 176895463
7-phenoxyheptan-1-ol
CID 15856264
2-(3-chloropropoxy)ethoxybenzene
CID 24689326
3-[2-(2-phenoxyethoxy)ethoxy]propan-1-amine
CID 21297450
2-(3-bromopropoxy)ethoxybenzene
CID 43135436
CID 59045223
CID 59045223
2-pentoxyethoxybenzene
CID 54431229
2-(5-chloropentoxy)ethoxybenzene
CID 43348433
3-[4-[1-[4-(3-hydroxypropoxy)phenyl]-2,2-diphenylethenyl]phenoxy]propan-1-ol
CID 177306952
5-(4-phenoxyphenoxy)pentan-1-ol
CID 62229008

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-phenoxypropoxy)ethoxy]propan-1-ol?
The IUPAC name of 3-[2-(3-phenoxypropoxy)ethoxy]propan-1-ol (CID 23045273) is 3-[2-(3-phenoxypropoxy)ethoxy]propan-1-ol.
What is the SMILES notation for 3-[2-(3-phenoxypropoxy)ethoxy]propan-1-ol?
The canonical SMILES for 3-[2-(3-phenoxypropoxy)ethoxy]propan-1-ol is OCCCOCCOCCCOc1ccccc1.
What is the InChIKey of 3-[2-(3-phenoxypropoxy)ethoxy]propan-1-ol?
The InChIKey is HEIALYYBQIBLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O4/c15-8-4-9-16-12-13-17-10-5-11-18-14-6-2-1-3-7-14/h1-3,6-7,15H,4-5,8-13H2.
What are the key properties of 3-[2-(3-phenoxypropoxy)ethoxy]propan-1-ol?
3-[2-(3-phenoxypropoxy)ethoxy]propan-1-ol has a molecular weight of 254.33 g/mol, XLogP of 1.87, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-phenoxypropoxy)ethoxy]propan-1-ol is sourced from PubChem (CID 23045273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).