4-[4-[4-(oxiran-2-yl)butoxy]phenyl]phenol

C18H20O3 — CID 174516369

IUPAC4-[4-[4-(oxiran-2-yl)butoxy]phenyl]phenol
SMILESOc1ccc(-c2ccc(OCCCCC3CO3)cc2)cc1
InChIInChI=1S/C18H20O3/c19-16-8-4-14(5-9-16)15-6-10-17(11-7-15)20-12-2-1-3-18-13-21-18/h4-11,18-19H,1-3,12-13H2
InChIKeyBPUZPZTXDZEVGV-UHFFFAOYSA-N
MW284.36 g/mol
LogP4.01
Rot. Bonds7

About 4-[4-[4-(oxiran-2-yl)butoxy]phenyl]phenol

4-[4-[4-(oxiran-2-yl)butoxy]phenyl]phenol (PubChem CID 174516369) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-[4-[4-(oxiran-2-yl)butoxy]phenyl]phenol.

Molecular Properties

Compound Name4-[4-[4-(oxiran-2-yl)butoxy]phenyl]phenol
PubChem CID174516369
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name4-[4-[4-(oxiran-2-yl)butoxy]phenyl]phenol
SMILESOc1ccc(-c2ccc(OCCCCC3CO3)cc2)cc1
InChIInChI=1S/C18H20O3/c19-16-8-4-14(5-9-16)15-6-10-17(11-7-15)20-12-2-1-3-18-13-21-18/h4-11,18-19H,1-3,12-13H2
InChIKeyBPUZPZTXDZEVGV-UHFFFAOYSA-N
XLogP4.01
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[6-[4-[4-[4-[6-(oxiran-2-yl)hexoxy]phenyl]phenyl]phenoxy]hexyl]oxirane
CID 87427426
2,6-bis[4-[4-[4-(oxiran-2-yl)butoxy]phenyl]phenoxy]pyridine
CID 87453851
2-[9-(4-phenylmethoxyphenoxy)nonyl]oxirane
CID 54047202
4-[4-(oxiran-2-yl)butoxy]benzaldehyde
CID 147953263
4-[5-(4-hydroxyphenoxy)pentoxy]phenol
CID 20548963
2-(3-phenoxypropyl)oxirane
CID 23468414
methane;4-(oxiran-2-ylmethoxy)phenol
CID 159818409
[4-[2-(oxiran-2-yl)ethoxy]phenyl] 4-[4-(oxiran-2-yl)butoxy]benzoate
CID 101068364
4-[4-[4-[4-[4-[4-(4-hydroxyphenyl)cyclopenta-1,3-dien-1-yl]phenoxy]butoxy]phenyl]cyclopenta-1,3-dien-1-yl]phenol
CID 163680281
4-[4-(oxetan-2-ylmethoxy)phenyl]phenol
CID 22482668
2-[2-[4-[4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]phenoxy]ethoxymethyl]oxirane
CID 87441812
4-[4-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]phenyl]phenol
CID 142544530

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(oxiran-2-yl)butoxy]phenyl]phenol?
The IUPAC name of 4-[4-[4-(oxiran-2-yl)butoxy]phenyl]phenol (CID 174516369) is 4-[4-[4-(oxiran-2-yl)butoxy]phenyl]phenol.
What is the SMILES notation for 4-[4-[4-(oxiran-2-yl)butoxy]phenyl]phenol?
The canonical SMILES for 4-[4-[4-(oxiran-2-yl)butoxy]phenyl]phenol is Oc1ccc(-c2ccc(OCCCCC3CO3)cc2)cc1.
What is the InChIKey of 4-[4-[4-(oxiran-2-yl)butoxy]phenyl]phenol?
The InChIKey is BPUZPZTXDZEVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c19-16-8-4-14(5-9-16)15-6-10-17(11-7-15)20-12-2-1-3-18-13-21-18/h4-11,18-19H,1-3,12-13H2.
What are the key properties of 4-[4-[4-(oxiran-2-yl)butoxy]phenyl]phenol?
4-[4-[4-(oxiran-2-yl)butoxy]phenyl]phenol has a molecular weight of 284.36 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(oxiran-2-yl)butoxy]phenyl]phenol is sourced from PubChem (CID 174516369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).