2-(2-phenoxyethoxy)pentan-2-ol

C13H20O3 — CID 141202879

IUPAC2-(2-phenoxyethoxy)pentan-2-ol
SMILESCCCC(C)(O)OCCOc1ccccc1
InChIInChI=1S/C13H20O3/c1-3-9-13(2,14)16-11-10-15-12-7-5-4-6-8-12/h4-8,14H,3,9-11H2,1-2H3
InChIKeySBWZUWSRWDTIFM-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.59
Rot. Bonds7

About 2-(2-phenoxyethoxy)pentan-2-ol

2-(2-phenoxyethoxy)pentan-2-ol (PubChem CID 141202879) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-(2-phenoxyethoxy)pentan-2-ol.

Molecular Properties

Compound Name2-(2-phenoxyethoxy)pentan-2-ol
PubChem CID141202879
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name2-(2-phenoxyethoxy)pentan-2-ol
SMILESCCCC(C)(O)OCCOc1ccccc1
InChIInChI=1S/C13H20O3/c1-3-9-13(2,14)16-11-10-15-12-7-5-4-6-8-12/h4-8,14H,3,9-11H2,1-2H3
InChIKeySBWZUWSRWDTIFM-UHFFFAOYSA-N
XLogP2.59
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.59
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'}

Analyze 2-(2-phenoxyethoxy)pentan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3,5,5-tetramethyl-2-(2-phenoxyethoxy)hexan-2-ol
CID 141071061
3-methyl-1-phenoxypentan-3-ol
CID 139819683
2-methyl-2-(2-phenoxyethyl)pentan-1-amine
CID 62726316
CID 161224902
CID 161224902
azane;propoxybenzene
CID 66667480
2,3-dimethyl-3-(3-phenoxypropoxy)butan-2-ol
CID 175326369
N-ethyl-2-methyl-2-(2-phenoxyethoxy)propan-1-amine
CID 62353597
2,2-dimethyl-4-phenoxybutan-1-ol
CID 66024282
1-amino-2-methyl-5-phenoxypentan-2-ol
CID 64814632
3,3-bis(chloromethyl)hexoxybenzene
CID 79447958
2-ethyl-2-(2-phenoxyethoxy)butan-1-amine
CID 65050959
azane;2-(2-phenoxyethoxy)decan-2-yl dihydrogen phosphate
CID 173337947

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenoxyethoxy)pentan-2-ol?
The IUPAC name of 2-(2-phenoxyethoxy)pentan-2-ol (CID 141202879) is 2-(2-phenoxyethoxy)pentan-2-ol.
What is the SMILES notation for 2-(2-phenoxyethoxy)pentan-2-ol?
The canonical SMILES for 2-(2-phenoxyethoxy)pentan-2-ol is CCCC(C)(O)OCCOc1ccccc1.
What is the InChIKey of 2-(2-phenoxyethoxy)pentan-2-ol?
The InChIKey is SBWZUWSRWDTIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3/c1-3-9-13(2,14)16-11-10-15-12-7-5-4-6-8-12/h4-8,14H,3,9-11H2,1-2H3.
What are the key properties of 2-(2-phenoxyethoxy)pentan-2-ol?
2-(2-phenoxyethoxy)pentan-2-ol has a molecular weight of 224.30 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenoxyethoxy)pentan-2-ol is sourced from PubChem (CID 141202879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).