2-(1-phenoxyethoxy)undecan-2-ol

C19H32O3 — CID 175233891

IUPAC2-(1-phenoxyethoxy)undecan-2-ol
SMILESCCCCCCCCCC(C)(O)OC(C)Oc1ccccc1
InChIInChI=1S/C19H32O3/c1-4-5-6-7-8-9-13-16-19(3,20)22-17(2)21-18-14-11-10-12-15-18/h10-12,14-15,17,20H,4-9,13,16H2,1-3H3
InChIKeyPFLPYQRWVKKKPC-UHFFFAOYSA-N
MW308.46 g/mol
LogP5.28
Rot. Bonds12

About 2-(1-phenoxyethoxy)undecan-2-ol

2-(1-phenoxyethoxy)undecan-2-ol (PubChem CID 175233891) has the molecular formula C19H32O3 and a molecular weight of 308.46 g/mol. Its IUPAC name is 2-(1-phenoxyethoxy)undecan-2-ol.

Molecular Properties

Compound Name2-(1-phenoxyethoxy)undecan-2-ol
PubChem CID175233891
Molecular FormulaC19H32O3
Molecular Weight308.46 g/mol
Exact Mass308.24
IUPAC Name2-(1-phenoxyethoxy)undecan-2-ol
SMILESCCCCCCCCCC(C)(O)OC(C)Oc1ccccc1
InChIInChI=1S/C19H32O3/c1-4-5-6-7-8-9-13-16-19(3,20)22-17(2)21-18-14-11-10-12-15-18/h10-12,14-15,17,20H,4-9,13,16H2,1-3H3
InChIKeyPFLPYQRWVKKKPC-UHFFFAOYSA-N
XLogP5.28
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.46
LogP ≤ 55.28
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

decan-2-yloxybenzene
CID 12838331
2-ethoxy-2-(1-phenoxyethyl)octadecanoic acid
CID 174802607
(2-methyl-3-propan-2-yldodecan-3-yl)oxybenzene
CID 150202731
2-methyl-3-phenoxyhexadecan-2-amine;hydrochloride
CID 175368556
1-phenoxyhexadecan-1-ol
CID 140512988
2-methylheptan-2-yl-bis(2-methylheptan-2-yloxy)-phenoxyphosphanium
CID 21499229
tetracosan-8-yloxybenzene
CID 154135377
1,1-diphenoxydecoxybenzene
CID 150135541
8-benzylpentadecan-8-ol
CID 13016086
1-nonoxypropan-2-yloxybenzene
CID 154296421
1-(1,1-diphenyldodecoxy)ethyl dihydrogen phosphite
CID 21499219
2-(hydroxymethyl)-2-(1-phenoxynonyl)propane-1,3-diol
CID 70520234

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenoxyethoxy)undecan-2-ol?
The IUPAC name of 2-(1-phenoxyethoxy)undecan-2-ol (CID 175233891) is 2-(1-phenoxyethoxy)undecan-2-ol.
What is the SMILES notation for 2-(1-phenoxyethoxy)undecan-2-ol?
The canonical SMILES for 2-(1-phenoxyethoxy)undecan-2-ol is CCCCCCCCCC(C)(O)OC(C)Oc1ccccc1.
What is the InChIKey of 2-(1-phenoxyethoxy)undecan-2-ol?
The InChIKey is PFLPYQRWVKKKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O3/c1-4-5-6-7-8-9-13-16-19(3,20)22-17(2)21-18-14-11-10-12-15-18/h10-12,14-15,17,20H,4-9,13,16H2,1-3H3.
What are the key properties of 2-(1-phenoxyethoxy)undecan-2-ol?
2-(1-phenoxyethoxy)undecan-2-ol has a molecular weight of 308.46 g/mol, XLogP of 5.28, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenoxyethoxy)undecan-2-ol is sourced from PubChem (CID 175233891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).