5-(2-ethylphenoxy)pentan-1-ol

C13H20O2 — CID 62228052

IUPAC5-(2-ethylphenoxy)pentan-1-ol
SMILESCCc1ccccc1OCCCCCO
InChIInChI=1S/C13H20O2/c1-2-12-8-4-5-9-13(12)15-11-7-3-6-10-14/h4-5,8-9,14H,2-3,6-7,10-11H2,1H3
InChIKeyDHMQXQURQFRXKV-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.79
Rot. Bonds7

About 5-(2-ethylphenoxy)pentan-1-ol

5-(2-ethylphenoxy)pentan-1-ol (PubChem CID 62228052) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 5-(2-ethylphenoxy)pentan-1-ol.

Molecular Properties

Compound Name5-(2-ethylphenoxy)pentan-1-ol
PubChem CID62228052
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name5-(2-ethylphenoxy)pentan-1-ol
SMILESCCc1ccccc1OCCCCCO
InChIInChI=1S/C13H20O2/c1-2-12-8-4-5-9-13(12)15-11-7-3-6-10-14/h4-5,8-9,14H,2-3,6-7,10-11H2,1H3
InChIKeyDHMQXQURQFRXKV-UHFFFAOYSA-N
XLogP2.79
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-(2-ethylphenoxy)pentan-1-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

1-ethyl-2-heptoxybenzene
CID 22723794
15-[2-(15-hydroxypentadecoxy)phenoxy]pentadecan-1-ol
CID 139621951
5-(2-ethylphenoxy)pentanoic acid
CID 43351498
3-(2-pentoxyphenyl)propan-1-ol
CID 82161171
5-(2-ethylphenoxy)-N-methylpentan-1-amine
CID 62486252
(2-octoxyphenyl)methanol
CID 43128604
4-(2-ethylphenoxy)butanamide
CID 82040636
1-ethyl-2-hept-6-enoxybenzene
CID 107010566
1-(3-bromopropoxy)-2-ethylbenzene
CID 43364278
11-(2-methylphenoxy)undecan-1-ol
CID 123672662
ethane;1-ethyl-2-(2-fluoroethoxy)benzene
CID 170716854
2-(2-pentoxyphenyl)ethanol
CID 91657515

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethylphenoxy)pentan-1-ol?
The IUPAC name of 5-(2-ethylphenoxy)pentan-1-ol (CID 62228052) is 5-(2-ethylphenoxy)pentan-1-ol.
What is the SMILES notation for 5-(2-ethylphenoxy)pentan-1-ol?
The canonical SMILES for 5-(2-ethylphenoxy)pentan-1-ol is CCc1ccccc1OCCCCCO.
What is the InChIKey of 5-(2-ethylphenoxy)pentan-1-ol?
The InChIKey is DHMQXQURQFRXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-2-12-8-4-5-9-13(12)15-11-7-3-6-10-14/h4-5,8-9,14H,2-3,6-7,10-11H2,1H3.
What are the key properties of 5-(2-ethylphenoxy)pentan-1-ol?
5-(2-ethylphenoxy)pentan-1-ol has a molecular weight of 208.30 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethylphenoxy)pentan-1-ol is sourced from PubChem (CID 62228052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).