4-[4-[4-(4-hydroxybutoxy)phenyl]phenoxy]butan-1-ol

C20H26O4 — CID 71340264

IUPAC4-[4-[4-(4-hydroxybutoxy)phenyl]phenoxy]butan-1-ol
SMILESOCCCCOc1ccc(-c2ccc(OCCCCO)cc2)cc1
InChIInChI=1S/C20H26O4/c21-13-1-3-15-23-19-9-5-17(6-10-19)18-7-11-20(12-8-18)24-16-4-2-14-22/h5-12,21-22H,1-4,13-16H2
InChIKeyJMQHUCNTWDGGIA-UHFFFAOYSA-N
MW330.42 g/mol
LogP3.66
Rot. Bonds11

About 4-[4-[4-(4-hydroxybutoxy)phenyl]phenoxy]butan-1-ol

4-[4-[4-(4-hydroxybutoxy)phenyl]phenoxy]butan-1-ol (PubChem CID 71340264) has the molecular formula C20H26O4 and a molecular weight of 330.42 g/mol. Its IUPAC name is 4-[4-[4-(4-hydroxybutoxy)phenyl]phenoxy]butan-1-ol.

Molecular Properties

Compound Name4-[4-[4-(4-hydroxybutoxy)phenyl]phenoxy]butan-1-ol
PubChem CID71340264
Molecular FormulaC20H26O4
Molecular Weight330.42 g/mol
Exact Mass330.18
IUPAC Name4-[4-[4-(4-hydroxybutoxy)phenyl]phenoxy]butan-1-ol
SMILESOCCCCOc1ccc(-c2ccc(OCCCCO)cc2)cc1
InChIInChI=1S/C20H26O4/c21-13-1-3-15-23-19-9-5-17(6-10-19)18-7-11-20(12-8-18)24-16-4-2-14-22/h5-12,21-22H,1-4,13-16H2
InChIKeyJMQHUCNTWDGGIA-UHFFFAOYSA-N
XLogP3.66
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.42
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

11-[4-[4-(11-hydroxyundecoxy)phenyl]phenoxy]undecan-1-ol
CID 15113939
6-(4-pyridin-4-ylphenoxy)hexan-1-ol
CID 67931707
11-(4-methylphenoxy)undecan-1-ol
CID 67541960
4-[4-(8-hydroxyoctoxy)phenyl]benzaldehyde
CID 18979506
3-[4-(4-fluorophenyl)phenoxy]propan-1-ol
CID 54464679
3-[4-[4-(6-hydroxyhexoxy)phenyl]phenoxy]propane-1-sulfonic acid
CID 58983737
[4-(11-hydroxyundecoxy)phenyl] 4-[4-(11-hydroxyundecoxy)phenyl]benzoate
CID 67639962
6-[4-[4-[6-(ethylaminooxy)hexoxy]phenyl]phenoxy]hexan-1-ol
CID 145339754
4-[6-(2-hydroxyethoxy)naphthalen-2-yl]oxybutan-1-ol
CID 138483629
6-(4-iodophenoxy)hexan-1-ol
CID 58609394
9-(4-ethoxyphenoxy)nonan-1-ol
CID 138493488
5-(4-propoxyphenoxy)pentan-1-ol
CID 62227500

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(4-hydroxybutoxy)phenyl]phenoxy]butan-1-ol?
The IUPAC name of 4-[4-[4-(4-hydroxybutoxy)phenyl]phenoxy]butan-1-ol (CID 71340264) is 4-[4-[4-(4-hydroxybutoxy)phenyl]phenoxy]butan-1-ol.
What is the SMILES notation for 4-[4-[4-(4-hydroxybutoxy)phenyl]phenoxy]butan-1-ol?
The canonical SMILES for 4-[4-[4-(4-hydroxybutoxy)phenyl]phenoxy]butan-1-ol is OCCCCOc1ccc(-c2ccc(OCCCCO)cc2)cc1.
What is the InChIKey of 4-[4-[4-(4-hydroxybutoxy)phenyl]phenoxy]butan-1-ol?
The InChIKey is JMQHUCNTWDGGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O4/c21-13-1-3-15-23-19-9-5-17(6-10-19)18-7-11-20(12-8-18)24-16-4-2-14-22/h5-12,21-22H,1-4,13-16H2.
What are the key properties of 4-[4-[4-(4-hydroxybutoxy)phenyl]phenoxy]butan-1-ol?
4-[4-[4-(4-hydroxybutoxy)phenyl]phenoxy]butan-1-ol has a molecular weight of 330.42 g/mol, XLogP of 3.66, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(4-hydroxybutoxy)phenyl]phenoxy]butan-1-ol is sourced from PubChem (CID 71340264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).