methane;4-(oxiran-2-ylmethoxy)phenol

C10H14O3 — CID 159818409

IUPACmethane;4-(oxiran-2-ylmethoxy)phenol
SMILESC.Oc1ccc(OCC2CO2)cc1
InChIInChI=1S/C9H10O3.CH4/c10-7-1-3-8(4-2-7)11-5-9-6-12-9;/h1-4,9-10H,5-6H2;1H4
InChIKeyNLXMKEWPTBEDTH-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.81
Rot. Bonds3

About methane;4-(oxiran-2-ylmethoxy)phenol

methane;4-(oxiran-2-ylmethoxy)phenol (PubChem CID 159818409) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is methane;4-(oxiran-2-ylmethoxy)phenol.

Molecular Properties

Compound Namemethane;4-(oxiran-2-ylmethoxy)phenol
PubChem CID159818409
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Namemethane;4-(oxiran-2-ylmethoxy)phenol
SMILESC.Oc1ccc(OCC2CO2)cc1
InChIInChI=1S/C9H10O3.CH4/c10-7-1-3-8(4-2-7)11-5-9-6-12-9;/h1-4,9-10H,5-6H2;1H4
InChIKeyNLXMKEWPTBEDTH-UHFFFAOYSA-N
XLogP1.81
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[[4-[[(2S)-oxiran-2-yl]methoxy]phenoxy]methyl]oxirane
CID 677176
4-[2-[4-[[(2S)-oxiran-2-yl]methoxy]phenyl]propan-2-yl]phenol
CID 88996492
2-(chloromethyl)oxirane;4-methoxyphenol;2-[(4-methoxyphenoxy)methyl]oxirane
CID 157284008
naphthalene-2,6-diol;2-[[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxymethyl]oxirane
CID 167603505
4-[1,1-bis(4-hydroxyphenyl)ethyl]phenol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;2-[[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane
CID 161041775
bis(benzene-1,4-diol);2-(oxiran-2-ylmethoxymethyl)oxirane
CID 158653156
4-[4-(oxetan-2-ylmethoxy)phenyl]phenol
CID 22482668
2-[2-(oxiran-2-ylmethoxy)ethoxymethyl]oxirane;2-[[4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane
CID 146313445
bis[4-(oxiran-2-ylmethoxy)phenyl]diazene
CID 4055525
1,3-bis[4-(oxiran-2-ylmethoxy)phenoxy]propan-2-ol
CID 59079287
2-[[4-(oxiran-2-ylmethoxymethyl)phenoxy]methyl]oxirane
CID 86030430
2-amino-5-(oxiran-2-ylmethoxy)phenol
CID 142227282

Frequently Asked Questions

What is the IUPAC name of methane;4-(oxiran-2-ylmethoxy)phenol?
The IUPAC name of methane;4-(oxiran-2-ylmethoxy)phenol (CID 159818409) is methane;4-(oxiran-2-ylmethoxy)phenol.
What is the SMILES notation for methane;4-(oxiran-2-ylmethoxy)phenol?
The canonical SMILES for methane;4-(oxiran-2-ylmethoxy)phenol is C.Oc1ccc(OCC2CO2)cc1.
What is the InChIKey of methane;4-(oxiran-2-ylmethoxy)phenol?
The InChIKey is NLXMKEWPTBEDTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O3.CH4/c10-7-1-3-8(4-2-7)11-5-9-6-12-9;/h1-4,9-10H,5-6H2;1H4.
What are the key properties of methane;4-(oxiran-2-ylmethoxy)phenol?
methane;4-(oxiran-2-ylmethoxy)phenol has a molecular weight of 182.22 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methane;4-(oxiran-2-ylmethoxy)phenol is sourced from PubChem (CID 159818409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).