5-(5-phenylmethoxypentoxy)pentan-1-ol

C17H28O3 — CID 155584786

IUPAC5-(5-phenylmethoxypentoxy)pentan-1-ol
SMILESOCCCCCOCCCCCOCc1ccccc1
InChIInChI=1S/C17H28O3/c18-12-6-2-7-13-19-14-8-3-9-15-20-16-17-10-4-1-5-11-17/h1,4-5,10-11,18H,2-3,6-9,12-16H2
InChIKeyJBEGNPVVCDDHAJ-UHFFFAOYSA-N
MW280.41 g/mol
LogP3.55
Rot. Bonds13

About 5-(5-phenylmethoxypentoxy)pentan-1-ol

5-(5-phenylmethoxypentoxy)pentan-1-ol (PubChem CID 155584786) has the molecular formula C17H28O3 and a molecular weight of 280.41 g/mol. Its IUPAC name is 5-(5-phenylmethoxypentoxy)pentan-1-ol.

Molecular Properties

Compound Name5-(5-phenylmethoxypentoxy)pentan-1-ol
PubChem CID155584786
Molecular FormulaC17H28O3
Molecular Weight280.41 g/mol
Exact Mass280.20
IUPAC Name5-(5-phenylmethoxypentoxy)pentan-1-ol
SMILESOCCCCCOCCCCCOCc1ccccc1
InChIInChI=1S/C17H28O3/c18-12-6-2-7-13-19-14-8-3-9-15-20-16-17-10-4-1-5-11-17/h1,4-5,10-11,18H,2-3,6-9,12-16H2
InChIKeyJBEGNPVVCDDHAJ-UHFFFAOYSA-N
XLogP3.55
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(5-phenylmethoxypentoxy)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

4-[2-[2-(6-phenylmethoxyhexoxy)ethoxy]ethoxy]butan-1-ol
CID 164592846
acetic acid;5-phenylmethoxypentan-1-ol
CID 71441282
5-[2-(5-phenylmethoxypentoxy)ethoxy]pentoxymethylbenzene
CID 135358353
5-[(4-phenoxyphenyl)methoxy]pentan-1-ol
CID 22357963
2-(hydroxymethyl)-2-(4-phenylmethoxybutoxymethyl)propane-1,3-diol
CID 131987442
(7S)-7,10-bis(phenylmethoxy)decan-1-ol
CID 25269371
2-hexadecoxyethoxymethylbenzene
CID 19965709
2-(2-heptoxyethoxy)ethoxymethylbenzene
CID 123339460
2-dodecoxyethoxymethylbenzene
CID 12857482
4-phenylmethoxybutoxyboronic acid
CID 101443000
5-(2-hexoxyethoxy)pentoxymethylbenzene
CID 160938924
2-(7-phenylmethoxyheptyl)propane-1,3-diol
CID 10612787

Frequently Asked Questions

What is the IUPAC name of 5-(5-phenylmethoxypentoxy)pentan-1-ol?
The IUPAC name of 5-(5-phenylmethoxypentoxy)pentan-1-ol (CID 155584786) is 5-(5-phenylmethoxypentoxy)pentan-1-ol.
What is the SMILES notation for 5-(5-phenylmethoxypentoxy)pentan-1-ol?
The canonical SMILES for 5-(5-phenylmethoxypentoxy)pentan-1-ol is OCCCCCOCCCCCOCc1ccccc1.
What is the InChIKey of 5-(5-phenylmethoxypentoxy)pentan-1-ol?
The InChIKey is JBEGNPVVCDDHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O3/c18-12-6-2-7-13-19-14-8-3-9-15-20-16-17-10-4-1-5-11-17/h1,4-5,10-11,18H,2-3,6-9,12-16H2.
What are the key properties of 5-(5-phenylmethoxypentoxy)pentan-1-ol?
5-(5-phenylmethoxypentoxy)pentan-1-ol has a molecular weight of 280.41 g/mol, XLogP of 3.55, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-phenylmethoxypentoxy)pentan-1-ol is sourced from PubChem (CID 155584786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).