2-[3-[[3-(2-hydroxy-6-methylphenyl)oxiran-2-yl]methoxymethyl]oxiran-2-yl]-3-methylphenol

C20H22O5 — CID 142691432

IUPAC2-[3-[[3-(2-hydroxy-6-methylphenyl)oxiran-2-yl]methoxymethyl]oxiran-2-yl]-3-methylphenol
SMILESCc1cccc(O)c1C1OC1COCC1OC1c1c(C)cccc1O
InChIInChI=1S/C20H22O5/c1-11-5-3-7-13(21)17(11)19-15(24-19)9-23-10-16-20(25-16)18-12(2)6-4-8-14(18)22/h3-8,15-16,19-22H,9-10H2,1-2H3
InChIKeyVUROBSLIVOEMRY-UHFFFAOYSA-N
MW342.39 g/mol
LogP3.31
Rot. Bonds6

About 2-[3-[[3-(2-hydroxy-6-methylphenyl)oxiran-2-yl]methoxymethyl]oxiran-2-yl]-3-methylphenol

2-[3-[[3-(2-hydroxy-6-methylphenyl)oxiran-2-yl]methoxymethyl]oxiran-2-yl]-3-methylphenol (PubChem CID 142691432) has the molecular formula C20H22O5 and a molecular weight of 342.39 g/mol. Its IUPAC name is 2-[3-[[3-(2-hydroxy-6-methylphenyl)oxiran-2-yl]methoxymethyl]oxiran-2-yl]-3-methylphenol.

Molecular Properties

Compound Name2-[3-[[3-(2-hydroxy-6-methylphenyl)oxiran-2-yl]methoxymethyl]oxiran-2-yl]-3-methylphenol
PubChem CID142691432
Molecular FormulaC20H22O5
Molecular Weight342.39 g/mol
Exact Mass342.15
IUPAC Name2-[3-[[3-(2-hydroxy-6-methylphenyl)oxiran-2-yl]methoxymethyl]oxiran-2-yl]-3-methylphenol
SMILESCc1cccc(O)c1C1OC1COCC1OC1c1c(C)cccc1O
InChIInChI=1S/C20H22O5/c1-11-5-3-7-13(21)17(11)19-15(24-19)9-23-10-16-20(25-16)18-12(2)6-4-8-14(18)22/h3-8,15-16,19-22H,9-10H2,1-2H3
InChIKeyVUROBSLIVOEMRY-UHFFFAOYSA-N
XLogP3.31
TPSA74.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 53.31
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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Frequently Asked Questions

What is the IUPAC name of 2-[3-[[3-(2-hydroxy-6-methylphenyl)oxiran-2-yl]methoxymethyl]oxiran-2-yl]-3-methylphenol?
The IUPAC name of 2-[3-[[3-(2-hydroxy-6-methylphenyl)oxiran-2-yl]methoxymethyl]oxiran-2-yl]-3-methylphenol (CID 142691432) is 2-[3-[[3-(2-hydroxy-6-methylphenyl)oxiran-2-yl]methoxymethyl]oxiran-2-yl]-3-methylphenol.
What is the SMILES notation for 2-[3-[[3-(2-hydroxy-6-methylphenyl)oxiran-2-yl]methoxymethyl]oxiran-2-yl]-3-methylphenol?
The canonical SMILES for 2-[3-[[3-(2-hydroxy-6-methylphenyl)oxiran-2-yl]methoxymethyl]oxiran-2-yl]-3-methylphenol is Cc1cccc(O)c1C1OC1COCC1OC1c1c(C)cccc1O.
What is the InChIKey of 2-[3-[[3-(2-hydroxy-6-methylphenyl)oxiran-2-yl]methoxymethyl]oxiran-2-yl]-3-methylphenol?
The InChIKey is VUROBSLIVOEMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O5/c1-11-5-3-7-13(21)17(11)19-15(24-19)9-23-10-16-20(25-16)18-12(2)6-4-8-14(18)22/h3-8,15-16,19-22H,9-10H2,1-2H3.
What are the key properties of 2-[3-[[3-(2-hydroxy-6-methylphenyl)oxiran-2-yl]methoxymethyl]oxiran-2-yl]-3-methylphenol?
2-[3-[[3-(2-hydroxy-6-methylphenyl)oxiran-2-yl]methoxymethyl]oxiran-2-yl]-3-methylphenol has a molecular weight of 342.39 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[3-(2-hydroxy-6-methylphenyl)oxiran-2-yl]methoxymethyl]oxiran-2-yl]-3-methylphenol is sourced from PubChem (CID 142691432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).