4-[2,3-bis(4-hydroxybutoxy)phenoxy]butan-1-ol

C18H30O6 — CID 135239341

IUPAC4-[2,3-bis(4-hydroxybutoxy)phenoxy]butan-1-ol
SMILESOCCCCOc1cccc(OCCCCO)c1OCCCCO
InChIInChI=1S/C18H30O6/c19-10-1-4-13-22-16-8-7-9-17(23-14-5-2-11-20)18(16)24-15-6-3-12-21/h7-9,19-21H,1-6,10-15H2
InChIKeyGLPMAVCYULNRNB-UHFFFAOYSA-N
MW342.43 g/mol
LogP2.14
Rot. Bonds15

About 4-[2,3-bis(4-hydroxybutoxy)phenoxy]butan-1-ol

4-[2,3-bis(4-hydroxybutoxy)phenoxy]butan-1-ol (PubChem CID 135239341) has the molecular formula C18H30O6 and a molecular weight of 342.43 g/mol. Its IUPAC name is 4-[2,3-bis(4-hydroxybutoxy)phenoxy]butan-1-ol.

Molecular Properties

Compound Name4-[2,3-bis(4-hydroxybutoxy)phenoxy]butan-1-ol
PubChem CID135239341
Molecular FormulaC18H30O6
Molecular Weight342.43 g/mol
Exact Mass342.20
IUPAC Name4-[2,3-bis(4-hydroxybutoxy)phenoxy]butan-1-ol
SMILESOCCCCOc1cccc(OCCCCO)c1OCCCCO
InChIInChI=1S/C18H30O6/c19-10-1-4-13-22-16-8-7-9-17(23-14-5-2-11-20)18(16)24-15-6-3-12-21/h7-9,19-21H,1-6,10-15H2
InChIKeyGLPMAVCYULNRNB-UHFFFAOYSA-N
XLogP2.14
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.43
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[2,3-bis(4-hydroxybutoxy)phenoxy]butan-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

15-[2-(15-hydroxypentadecoxy)phenoxy]pentadecan-1-ol
CID 139621951
2-[2-(2-hydroxyethoxy)-3-methylphenoxy]ethanol
CID 139797700
1,2,3-tris(2-fluoroethoxy)benzene
CID 15058725
11-[2-[2-(11-hydroxyundecoxy)phenyl]phenoxy]undecan-1-ol
CID 139835438
1,2,3-tridodecoxybenzene
CID 11308140
6-(2,6-dimethylphenoxy)hexan-1-ol
CID 103801792
1,2,3-trihexadecoxybenzene
CID 15518170
6-[10-(6-hydroxyhexoxy)anthracen-9-yl]oxyhexan-1-ol
CID 153326321
4-(2-fluorophenoxy)butan-1-ol
CID 43509993
4-(2-methoxyphenoxy)butan-1-ol
CID 43510003
1-butoxynaphthalene;pentane-1,5-diol
CID 67747662
11-(2-methylphenoxy)undecan-1-ol
CID 123672662

Frequently Asked Questions

What is the IUPAC name of 4-[2,3-bis(4-hydroxybutoxy)phenoxy]butan-1-ol?
The IUPAC name of 4-[2,3-bis(4-hydroxybutoxy)phenoxy]butan-1-ol (CID 135239341) is 4-[2,3-bis(4-hydroxybutoxy)phenoxy]butan-1-ol.
What is the SMILES notation for 4-[2,3-bis(4-hydroxybutoxy)phenoxy]butan-1-ol?
The canonical SMILES for 4-[2,3-bis(4-hydroxybutoxy)phenoxy]butan-1-ol is OCCCCOc1cccc(OCCCCO)c1OCCCCO.
What is the InChIKey of 4-[2,3-bis(4-hydroxybutoxy)phenoxy]butan-1-ol?
The InChIKey is GLPMAVCYULNRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O6/c19-10-1-4-13-22-16-8-7-9-17(23-14-5-2-11-20)18(16)24-15-6-3-12-21/h7-9,19-21H,1-6,10-15H2.
What are the key properties of 4-[2,3-bis(4-hydroxybutoxy)phenoxy]butan-1-ol?
4-[2,3-bis(4-hydroxybutoxy)phenoxy]butan-1-ol has a molecular weight of 342.43 g/mol, XLogP of 2.14, 15 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,3-bis(4-hydroxybutoxy)phenoxy]butan-1-ol is sourced from PubChem (CID 135239341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).