5-[5-(2-methoxyethoxy)pentyl]benzene-1,3-diol

C14H22O4 — CID 23313285

IUPAC5-[5-(2-methoxyethoxy)pentyl]benzene-1,3-diol
SMILESCOCCOCCCCCc1cc(O)cc(O)c1
InChIInChI=1S/C14H22O4/c1-17-7-8-18-6-4-2-3-5-12-9-13(15)11-14(16)10-12/h9-11,15-16H,2-8H2,1H3
InChIKeySTBQBJUMARYVHL-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.47
Rot. Bonds9

About 5-[5-(2-methoxyethoxy)pentyl]benzene-1,3-diol

5-[5-(2-methoxyethoxy)pentyl]benzene-1,3-diol (PubChem CID 23313285) has the molecular formula C14H22O4 and a molecular weight of 254.33 g/mol. Its IUPAC name is 5-[5-(2-methoxyethoxy)pentyl]benzene-1,3-diol.

Molecular Properties

Compound Name5-[5-(2-methoxyethoxy)pentyl]benzene-1,3-diol
PubChem CID23313285
Molecular FormulaC14H22O4
Molecular Weight254.33 g/mol
Exact Mass254.15
IUPAC Name5-[5-(2-methoxyethoxy)pentyl]benzene-1,3-diol
SMILESCOCCOCCCCCc1cc(O)cc(O)c1
InChIInChI=1S/C14H22O4/c1-17-7-8-18-6-4-2-3-5-12-9-13(15)11-14(16)10-12/h9-11,15-16H,2-8H2,1H3
InChIKeySTBQBJUMARYVHL-UHFFFAOYSA-N
XLogP2.47
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[5-(2-methoxyethoxy)pentyl]benzene-1,3-diol 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

5-[6-(3,5-dihydroxyphenyl)hexyl]benzene-1,3-diol
CID 71394044
5-[18-(3,5-dihydroxyphenyl)octadecyl]benzene-1,3-diol
CID 101039631
4-[12-(2-methoxyethoxy)dodecyl]aniline
CID 163574819
1,8-bis(2-methoxyethoxy)octane
CID 143118909
5-pentacosylbenzene-1,3-diol
CID 159617875
5-icosylbenzene-1,3-diol
CID 15775324
1-(2-methoxyethoxy)-4-[4-(2-methoxyethoxy)butoxy]butane
CID 58114561
5-[1-[4-(2-methoxyethoxy)butylamino]ethyl]benzene-1,3-diol
CID 107707175
CID 175718629
CID 175718629
4-(8-methoxyoctyl)-2,6-bis(methylsulfanyl)phenol
CID 15052400
2-(2-methoxyethoxymethoxy)-5-[10-[10-[4-(2-methoxyethoxymethoxy)-3,5-diphenylphenyl]decoxy]decyl]-1,3-diphenylbenzene
CID 139915382
4-(5-propoxypentyl)phenol
CID 175182886

Frequently Asked Questions

What is the IUPAC name of 5-[5-(2-methoxyethoxy)pentyl]benzene-1,3-diol?
The IUPAC name of 5-[5-(2-methoxyethoxy)pentyl]benzene-1,3-diol (CID 23313285) is 5-[5-(2-methoxyethoxy)pentyl]benzene-1,3-diol.
What is the SMILES notation for 5-[5-(2-methoxyethoxy)pentyl]benzene-1,3-diol?
The canonical SMILES for 5-[5-(2-methoxyethoxy)pentyl]benzene-1,3-diol is COCCOCCCCCc1cc(O)cc(O)c1.
What is the InChIKey of 5-[5-(2-methoxyethoxy)pentyl]benzene-1,3-diol?
The InChIKey is STBQBJUMARYVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O4/c1-17-7-8-18-6-4-2-3-5-12-9-13(15)11-14(16)10-12/h9-11,15-16H,2-8H2,1H3.
What are the key properties of 5-[5-(2-methoxyethoxy)pentyl]benzene-1,3-diol?
5-[5-(2-methoxyethoxy)pentyl]benzene-1,3-diol has a molecular weight of 254.33 g/mol, XLogP of 2.47, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(2-methoxyethoxy)pentyl]benzene-1,3-diol is sourced from PubChem (CID 23313285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).