1,3-bis[4-(oxiran-2-ylmethoxy)phenoxy]propan-2-ol

C21H24O7 — CID 59079287

IUPAC1,3-bis[4-(oxiran-2-ylmethoxy)phenoxy]propan-2-ol
SMILESOC(COc1ccc(OCC2CO2)cc1)COc1ccc(OCC2CO2)cc1
InChIInChI=1S/C21H24O7/c22-15(9-23-16-1-5-18(6-2-16)25-11-20-13-27-20)10-24-17-3-7-19(8-4-17)26-12-21-14-28-21/h1-8,15,20-22H,9-14H2
InChIKeyUAZKNDYUWOSHAM-UHFFFAOYSA-N
MW388.42 g/mol
LogP2.06
Rot. Bonds12

About 1,3-bis[4-(oxiran-2-ylmethoxy)phenoxy]propan-2-ol

1,3-bis[4-(oxiran-2-ylmethoxy)phenoxy]propan-2-ol (PubChem CID 59079287) has the molecular formula C21H24O7 and a molecular weight of 388.42 g/mol. Its IUPAC name is 1,3-bis[4-(oxiran-2-ylmethoxy)phenoxy]propan-2-ol.

Molecular Properties

Compound Name1,3-bis[4-(oxiran-2-ylmethoxy)phenoxy]propan-2-ol
PubChem CID59079287
Molecular FormulaC21H24O7
Molecular Weight388.42 g/mol
Exact Mass388.15
IUPAC Name1,3-bis[4-(oxiran-2-ylmethoxy)phenoxy]propan-2-ol
SMILESOC(COc1ccc(OCC2CO2)cc1)COc1ccc(OCC2CO2)cc1
InChIInChI=1S/C21H24O7/c22-15(9-23-16-1-5-18(6-2-16)25-11-20-13-27-20)10-24-17-3-7-19(8-4-17)26-12-21-14-28-21/h1-8,15,20-22H,9-14H2
InChIKeyUAZKNDYUWOSHAM-UHFFFAOYSA-N
XLogP2.06
TPSA82.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1,3-bis[4-[4-(oxiran-2-ylmethoxy)phenyl]phenoxy]propan-2-ol
CID 54276038
1,3-bis[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol
CID 159105635
1,3-bis[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol;methane
CID 158673985
1,3-bis[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol;methanamine
CID 91550774
1,3-bis[4-[1,1,1,3,3,3-hexafluoro-2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol
CID 22946632
(2S)-2-[[4-[[(2S)-oxiran-2-yl]methoxy]phenoxy]methyl]oxirane
CID 677176
1-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]-3-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol
CID 18728927
1,3-bis[4-[1-[4-(oxiran-2-ylmethoxy)phenyl]-1-phenylethyl]phenoxy]propan-2-ol
CID 118685638
1,3-bis[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]-1,3-dihydroinden-2-yl]phenoxy]propan-2-ol
CID 59148719
1-[4-[[4-(oxetan-3-yloxy)phenyl]methyl]phenoxy]-3-[4-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]propan-2-ol
CID 59660341
1-(4-tert-butylphenoxy)-3-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol;2-[(4-methylphenoxy)methyl]oxirane
CID 159135741
1,3-bis[4-[7-[4-(oxiran-2-ylmethoxy)phenyl]-5,6,8,9-tetrahydrobenzo[7]annulen-7-yl]phenoxy]propan-2-ol
CID 59148718

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[4-(oxiran-2-ylmethoxy)phenoxy]propan-2-ol?
The IUPAC name of 1,3-bis[4-(oxiran-2-ylmethoxy)phenoxy]propan-2-ol (CID 59079287) is 1,3-bis[4-(oxiran-2-ylmethoxy)phenoxy]propan-2-ol.
What is the SMILES notation for 1,3-bis[4-(oxiran-2-ylmethoxy)phenoxy]propan-2-ol?
The canonical SMILES for 1,3-bis[4-(oxiran-2-ylmethoxy)phenoxy]propan-2-ol is OC(COc1ccc(OCC2CO2)cc1)COc1ccc(OCC2CO2)cc1.
What is the InChIKey of 1,3-bis[4-(oxiran-2-ylmethoxy)phenoxy]propan-2-ol?
The InChIKey is UAZKNDYUWOSHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O7/c22-15(9-23-16-1-5-18(6-2-16)25-11-20-13-27-20)10-24-17-3-7-19(8-4-17)26-12-21-14-28-21/h1-8,15,20-22H,9-14H2.
What are the key properties of 1,3-bis[4-(oxiran-2-ylmethoxy)phenoxy]propan-2-ol?
1,3-bis[4-(oxiran-2-ylmethoxy)phenoxy]propan-2-ol has a molecular weight of 388.42 g/mol, XLogP of 2.06, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[4-(oxiran-2-ylmethoxy)phenoxy]propan-2-ol is sourced from PubChem (CID 59079287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).