2-(2-hydroxyphenoxy)-3,4-bis(oxiran-2-ylmethyl)phenol

C18H18O5 — CID 140959428

IUPAC2-(2-hydroxyphenoxy)-3,4-bis(oxiran-2-ylmethyl)phenol
SMILESOc1ccccc1Oc1c(O)ccc(CC2CO2)c1CC1CO1
InChIInChI=1S/C18H18O5/c19-15-3-1-2-4-17(15)23-18-14(8-13-10-22-13)11(5-6-16(18)20)7-12-9-21-12/h1-6,12-13,19-20H,7-10H2
InChIKeyPGHSVHZHNBVDHO-UHFFFAOYSA-N
MW314.34 g/mol
LogP2.77
Rot. Bonds6

About 2-(2-hydroxyphenoxy)-3,4-bis(oxiran-2-ylmethyl)phenol

2-(2-hydroxyphenoxy)-3,4-bis(oxiran-2-ylmethyl)phenol (PubChem CID 140959428) has the molecular formula C18H18O5 and a molecular weight of 314.34 g/mol. Its IUPAC name is 2-(2-hydroxyphenoxy)-3,4-bis(oxiran-2-ylmethyl)phenol.

Molecular Properties

Compound Name2-(2-hydroxyphenoxy)-3,4-bis(oxiran-2-ylmethyl)phenol
PubChem CID140959428
Molecular FormulaC18H18O5
Molecular Weight314.34 g/mol
Exact Mass314.12
IUPAC Name2-(2-hydroxyphenoxy)-3,4-bis(oxiran-2-ylmethyl)phenol
SMILESOc1ccccc1Oc1c(O)ccc(CC2CO2)c1CC1CO1
InChIInChI=1S/C18H18O5/c19-15-3-1-2-4-17(15)23-18-14(8-13-10-22-13)11(5-6-16(18)20)7-12-9-21-12/h1-6,12-13,19-20H,7-10H2
InChIKeyPGHSVHZHNBVDHO-UHFFFAOYSA-N
XLogP2.77
TPSA74.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,3-bis(oxiran-2-ylmethyl)phenol
CID 19029836
4-amino-2-(oxiran-2-ylmethyl)phenol
CID 22610788
2-[[1-(oxiran-2-ylmethyl)anthracen-2-yl]methyl]oxirane
CID 174458994
4-(oxiran-2-ylmethyl)-2-phenylbenzene-1,3-diol
CID 151193799
4-(oxiran-2-ylmethyl)-2-phenylmethoxyphenol
CID 57057624
2-[[3-[3-(oxiran-2-ylmethyl)-2-prop-2-enylphenoxy]-2-prop-2-enylphenyl]methyl]oxirane
CID 23343467
methane;2-[[2-(oxiran-2-ylmethyl)phenyl]methyl]oxirane
CID 174690186
2-(2-hydroxyphenoxy)-3,4-dimethylphenol
CID 175742174
azane;2-[[2-[[2,3-bis(oxiran-2-ylmethyl)phenyl]methyl]-6-(oxiran-2-ylmethyl)phenyl]methyl]oxirane
CID 87240097
[2-(oxiran-2-ylmethyl)phenyl] acetate
CID 14713764
N-[2,3-bis(oxiran-2-ylmethyl)phenyl]-N-(oxiran-2-ylmethyl)hydroxylamine
CID 118275272
2-(oxiran-2-ylmethyl)-3-phenylphenol
CID 174834260

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyphenoxy)-3,4-bis(oxiran-2-ylmethyl)phenol?
The IUPAC name of 2-(2-hydroxyphenoxy)-3,4-bis(oxiran-2-ylmethyl)phenol (CID 140959428) is 2-(2-hydroxyphenoxy)-3,4-bis(oxiran-2-ylmethyl)phenol.
What is the SMILES notation for 2-(2-hydroxyphenoxy)-3,4-bis(oxiran-2-ylmethyl)phenol?
The canonical SMILES for 2-(2-hydroxyphenoxy)-3,4-bis(oxiran-2-ylmethyl)phenol is Oc1ccccc1Oc1c(O)ccc(CC2CO2)c1CC1CO1.
What is the InChIKey of 2-(2-hydroxyphenoxy)-3,4-bis(oxiran-2-ylmethyl)phenol?
The InChIKey is PGHSVHZHNBVDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O5/c19-15-3-1-2-4-17(15)23-18-14(8-13-10-22-13)11(5-6-16(18)20)7-12-9-21-12/h1-6,12-13,19-20H,7-10H2.
What are the key properties of 2-(2-hydroxyphenoxy)-3,4-bis(oxiran-2-ylmethyl)phenol?
2-(2-hydroxyphenoxy)-3,4-bis(oxiran-2-ylmethyl)phenol has a molecular weight of 314.34 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyphenoxy)-3,4-bis(oxiran-2-ylmethyl)phenol is sourced from PubChem (CID 140959428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).