[2-[[[2,6-bis(hydroxymethyl)-4-methylphenyl]-(oxiran-2-yl)methoxy]-(oxiran-2-yl)methyl]-3-(hydroxymethyl)-5-methylphenyl]methanol

C24H30O7 — CID 166064695

IUPAC[2-[[[2,6-bis(hydroxymethyl)-4-methylphenyl]-(oxiran-2-yl)methoxy]-(oxiran-2-yl)methyl]-3-(hydroxymethyl)-5-methylphenyl]methanol
SMILESCc1cc(CO)c(C(OC(c2c(CO)cc(C)cc2CO)C2CO2)C2CO2)c(CO)c1
InChIInChI=1S/C24H30O7/c1-13-3-15(7-25)21(16(4-13)8-26)23(19-11-29-19)31-24(20-12-30-20)22-17(9-27)5-14(2)6-18(22)10-28/h3-6,19-20,23-28H,7-12H2,1-2H3
InChIKeyHWVZRAAFMMUEDR-UHFFFAOYSA-N
MW430.50 g/mol
LogP1.87
Rot. Bonds10

About [2-[[[2,6-bis(hydroxymethyl)-4-methylphenyl]-(oxiran-2-yl)methoxy]-(oxiran-2-yl)methyl]-3-(hydroxymethyl)-5-methylphenyl]methanol

[2-[[[2,6-bis(hydroxymethyl)-4-methylphenyl]-(oxiran-2-yl)methoxy]-(oxiran-2-yl)methyl]-3-(hydroxymethyl)-5-methylphenyl]methanol (PubChem CID 166064695) has the molecular formula C24H30O7 and a molecular weight of 430.50 g/mol. Its IUPAC name is [2-[[[2,6-bis(hydroxymethyl)-4-methylphenyl]-(oxiran-2-yl)methoxy]-(oxiran-2-yl)methyl]-3-(hydroxymethyl)-5-methylphenyl]methanol.

Molecular Properties

Compound Name[2-[[[2,6-bis(hydroxymethyl)-4-methylphenyl]-(oxiran-2-yl)methoxy]-(oxiran-2-yl)methyl]-3-(hydroxymethyl)-5-methylphenyl]methanol
PubChem CID166064695
Molecular FormulaC24H30O7
Molecular Weight430.50 g/mol
Exact Mass430.20
IUPAC Name[2-[[[2,6-bis(hydroxymethyl)-4-methylphenyl]-(oxiran-2-yl)methoxy]-(oxiran-2-yl)methyl]-3-(hydroxymethyl)-5-methylphenyl]methanol
SMILESCc1cc(CO)c(C(OC(c2c(CO)cc(C)cc2CO)C2CO2)C2CO2)c(CO)c1
InChIInChI=1S/C24H30O7/c1-13-3-15(7-25)21(16(4-13)8-26)23(19-11-29-19)31-24(20-12-30-20)22-17(9-27)5-14(2)6-18(22)10-28/h3-6,19-20,23-28H,7-12H2,1-2H3
InChIKeyHWVZRAAFMMUEDR-UHFFFAOYSA-N
XLogP1.87
TPSA115.21 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.50
LogP ≤ 51.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [2-[[[2,6-bis(hydroxymethyl)-4-methylphenyl]-(oxiran-2-yl)methoxy]-(oxiran-2-yl)methyl]-3-(hydroxymethyl)-5-methylphenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[[[2,6-bis(hydroxymethyl)-4-methylphenyl]-(oxiran-2-yl)methoxy]-(oxiran-2-yl)methyl]-3-(hydroxymethyl)-5-methylphenyl]methanol?
The IUPAC name of [2-[[[2,6-bis(hydroxymethyl)-4-methylphenyl]-(oxiran-2-yl)methoxy]-(oxiran-2-yl)methyl]-3-(hydroxymethyl)-5-methylphenyl]methanol (CID 166064695) is [2-[[[2,6-bis(hydroxymethyl)-4-methylphenyl]-(oxiran-2-yl)methoxy]-(oxiran-2-yl)methyl]-3-(hydroxymethyl)-5-methylphenyl]methanol.
What is the SMILES notation for [2-[[[2,6-bis(hydroxymethyl)-4-methylphenyl]-(oxiran-2-yl)methoxy]-(oxiran-2-yl)methyl]-3-(hydroxymethyl)-5-methylphenyl]methanol?
The canonical SMILES for [2-[[[2,6-bis(hydroxymethyl)-4-methylphenyl]-(oxiran-2-yl)methoxy]-(oxiran-2-yl)methyl]-3-(hydroxymethyl)-5-methylphenyl]methanol is Cc1cc(CO)c(C(OC(c2c(CO)cc(C)cc2CO)C2CO2)C2CO2)c(CO)c1.
What is the InChIKey of [2-[[[2,6-bis(hydroxymethyl)-4-methylphenyl]-(oxiran-2-yl)methoxy]-(oxiran-2-yl)methyl]-3-(hydroxymethyl)-5-methylphenyl]methanol?
The InChIKey is HWVZRAAFMMUEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30O7/c1-13-3-15(7-25)21(16(4-13)8-26)23(19-11-29-19)31-24(20-12-30-20)22-17(9-27)5-14(2)6-18(22)10-28/h3-6,19-20,23-28H,7-12H2,1-2H3.
What are the key properties of [2-[[[2,6-bis(hydroxymethyl)-4-methylphenyl]-(oxiran-2-yl)methoxy]-(oxiran-2-yl)methyl]-3-(hydroxymethyl)-5-methylphenyl]methanol?
[2-[[[2,6-bis(hydroxymethyl)-4-methylphenyl]-(oxiran-2-yl)methoxy]-(oxiran-2-yl)methyl]-3-(hydroxymethyl)-5-methylphenyl]methanol has a molecular weight of 430.50 g/mol, XLogP of 1.87, 10 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[[2,6-bis(hydroxymethyl)-4-methylphenyl]-(oxiran-2-yl)methoxy]-(oxiran-2-yl)methyl]-3-(hydroxymethyl)-5-methylphenyl]methanol is sourced from PubChem (CID 166064695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).