1-(2-phenoxydecoxy)ethanol

C18H30O3 — CID 69066857

IUPAC1-(2-phenoxydecoxy)ethanol
SMILESCCCCCCCCC(COC(C)O)Oc1ccccc1
InChIInChI=1S/C18H30O3/c1-3-4-5-6-7-9-14-18(15-20-16(2)19)21-17-12-10-8-11-13-17/h8,10-13,16,18-19H,3-7,9,14-15H2,1-2H3
InChIKeyKSLWSOSEBZYHJM-UHFFFAOYSA-N
MW294.43 g/mol
LogP4.54
Rot. Bonds12

About 1-(2-phenoxydecoxy)ethanol

1-(2-phenoxydecoxy)ethanol (PubChem CID 69066857) has the molecular formula C18H30O3 and a molecular weight of 294.43 g/mol. Its IUPAC name is 1-(2-phenoxydecoxy)ethanol.

Molecular Properties

Compound Name1-(2-phenoxydecoxy)ethanol
PubChem CID69066857
Molecular FormulaC18H30O3
Molecular Weight294.43 g/mol
Exact Mass294.22
IUPAC Name1-(2-phenoxydecoxy)ethanol
SMILESCCCCCCCCC(COC(C)O)Oc1ccccc1
InChIInChI=1S/C18H30O3/c1-3-4-5-6-7-9-14-18(15-20-16(2)19)21-17-12-10-8-11-13-17/h8,10-13,16,18-19H,3-7,9,14-15H2,1-2H3
InChIKeyKSLWSOSEBZYHJM-UHFFFAOYSA-N
XLogP4.54
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.43
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

tetracosan-8-yloxybenzene
CID 154135377
undecan-6-yloxybenzene
CID 130316504
1-(1-phenoxynonoxy)ethanol
CID 70629643
1-phenoxyhexadecan-1-ol
CID 140512988
[(2R,3S)-2-deuteriooctan-3-yl]oxybenzene
CID 25240766
decan-2-yloxybenzene
CID 12838331
2-[2-(2-phenoxydodecoxy)ethoxy]ethyl dihydrogen phosphate
CID 150186674
bis(2-phenoxyundecyl) phosphono phosphate
CID 139670579
2-[2-(2-phenoxyicosoxy)ethoxy]ethyl dihydrogen phosphate
CID 151774645
2-[2-(2-phenoxyheptadecoxy)ethoxy]ethyl dihydrogen phosphate
CID 150437630
1-butan-2-yloxypentan-2-yloxybenzene
CID 58764439
CID 172702107
CID 172702107

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenoxydecoxy)ethanol?
The IUPAC name of 1-(2-phenoxydecoxy)ethanol (CID 69066857) is 1-(2-phenoxydecoxy)ethanol.
What is the SMILES notation for 1-(2-phenoxydecoxy)ethanol?
The canonical SMILES for 1-(2-phenoxydecoxy)ethanol is CCCCCCCCC(COC(C)O)Oc1ccccc1.
What is the InChIKey of 1-(2-phenoxydecoxy)ethanol?
The InChIKey is KSLWSOSEBZYHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O3/c1-3-4-5-6-7-9-14-18(15-20-16(2)19)21-17-12-10-8-11-13-17/h8,10-13,16,18-19H,3-7,9,14-15H2,1-2H3.
What are the key properties of 1-(2-phenoxydecoxy)ethanol?
1-(2-phenoxydecoxy)ethanol has a molecular weight of 294.43 g/mol, XLogP of 4.54, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenoxydecoxy)ethanol is sourced from PubChem (CID 69066857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).