benzene;2,3-dimethylphenol;2-(oxiran-2-ylmethoxymethyl)oxirane

C20H26O4 — CID 174448667

IUPACbenzene;2,3-dimethylphenol;2-(oxiran-2-ylmethoxymethyl)oxirane
SMILESC(OCC1CO1)C1CO1.Cc1cccc(O)c1C.c1ccccc1
InChIInChI=1S/C8H10O.C6H10O3.C6H6/c1-6-4-3-5-8(9)7(6)2;1(5-3-8-5)7-2-6-4-9-6;1-2-4-6-5-3-1/h3-5,9H,1-2H3;5-6H,1-4H2;1-6H
InChIKeyIXNBRYIUYOJMGZ-UHFFFAOYSA-N
MW330.42 g/mol
LogP3.50
Rot. Bonds4

About benzene;2,3-dimethylphenol;2-(oxiran-2-ylmethoxymethyl)oxirane

benzene;2,3-dimethylphenol;2-(oxiran-2-ylmethoxymethyl)oxirane (PubChem CID 174448667) has the molecular formula C20H26O4 and a molecular weight of 330.42 g/mol. Its IUPAC name is benzene;2,3-dimethylphenol;2-(oxiran-2-ylmethoxymethyl)oxirane.

Molecular Properties

Compound Namebenzene;2,3-dimethylphenol;2-(oxiran-2-ylmethoxymethyl)oxirane
PubChem CID174448667
Molecular FormulaC20H26O4
Molecular Weight330.42 g/mol
Exact Mass330.18
IUPAC Namebenzene;2,3-dimethylphenol;2-(oxiran-2-ylmethoxymethyl)oxirane
SMILESC(OCC1CO1)C1CO1.Cc1cccc(O)c1C.c1ccccc1
InChIInChI=1S/C8H10O.C6H10O3.C6H6/c1-6-4-3-5-8(9)7(6)2;1(5-3-8-5)7-2-6-4-9-6;1-2-4-6-5-3-1/h3-5,9H,1-2H3;5-6H,1-4H2;1-6H
InChIKeyIXNBRYIUYOJMGZ-UHFFFAOYSA-N
XLogP3.50
TPSA54.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.42
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(4-hydroxy-2,3-dimethylphenyl)-2,3-dimethylphenol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 146291909
9H-fluorene;2-methylphenol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 174796639
bis(benzene-1,4-diol);2-(oxiran-2-ylmethoxymethyl)oxirane
CID 158653156
2-(oxiran-2-ylmethoxymethyl)oxirane;2,3,5-trimethylbenzene-1,4-diol
CID 22457219
oxirane;2-(oxiran-2-ylmethoxymethyl)oxirane;phenol
CID 87608532
2-methyl-3-[(1R)-1-[[(2R)-oxiran-2-yl]methoxy]ethyl]phenol
CID 89046389
ethane-1,2-diol;2-(oxiran-2-ylmethoxymethyl)oxirane;1,4-xylene
CID 126511442
2-(oxiran-2-ylmethoxymethyl)oxirane;3-phenylphenol
CID 86652086
(2R)-2-[(2,6-dimethylphenoxy)methyl]oxirane
CID 7127515
aniline;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 158083266
bromobenzene;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 88618664
2-(oxiran-2-ylmethoxymethyl)oxirane;phenylphosphane
CID 162075720

Frequently Asked Questions

What is the IUPAC name of benzene;2,3-dimethylphenol;2-(oxiran-2-ylmethoxymethyl)oxirane?
The IUPAC name of benzene;2,3-dimethylphenol;2-(oxiran-2-ylmethoxymethyl)oxirane (CID 174448667) is benzene;2,3-dimethylphenol;2-(oxiran-2-ylmethoxymethyl)oxirane.
What is the SMILES notation for benzene;2,3-dimethylphenol;2-(oxiran-2-ylmethoxymethyl)oxirane?
The canonical SMILES for benzene;2,3-dimethylphenol;2-(oxiran-2-ylmethoxymethyl)oxirane is C(OCC1CO1)C1CO1.Cc1cccc(O)c1C.c1ccccc1.
What is the InChIKey of benzene;2,3-dimethylphenol;2-(oxiran-2-ylmethoxymethyl)oxirane?
The InChIKey is IXNBRYIUYOJMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O.C6H10O3.C6H6/c1-6-4-3-5-8(9)7(6)2;1(5-3-8-5)7-2-6-4-9-6;1-2-4-6-5-3-1/h3-5,9H,1-2H3;5-6H,1-4H2;1-6H.
What are the key properties of benzene;2,3-dimethylphenol;2-(oxiran-2-ylmethoxymethyl)oxirane?
benzene;2,3-dimethylphenol;2-(oxiran-2-ylmethoxymethyl)oxirane has a molecular weight of 330.42 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;2,3-dimethylphenol;2-(oxiran-2-ylmethoxymethyl)oxirane is sourced from PubChem (CID 174448667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).