[4-(hydroxymethyl)-6-methoxy-9,10-bis(oxiran-2-ylmethoxy)-5,8-dihydroanthracen-2-yl]methanol

C23H26O7 — CID 90147696

IUPAC[4-(hydroxymethyl)-6-methoxy-9,10-bis(oxiran-2-ylmethoxy)-5,8-dihydroanthracen-2-yl]methanol
SMILESCOC1=CCc2c(c(OCC3CO3)c3c(CO)cc(CO)cc3c2OCC2CO2)C1
InChIInChI=1S/C23H26O7/c1-26-15-2-3-18-19(6-15)23(30-12-17-10-28-17)21-14(8-25)4-13(7-24)5-20(21)22(18)29-11-16-9-27-16/h2,4-5,16-17,24-25H,3,6-12H2,1H3
InChIKeyZADDRVVANULHAQ-UHFFFAOYSA-N
MW414.45 g/mol
LogP2.01
Rot. Bonds9

About [4-(hydroxymethyl)-6-methoxy-9,10-bis(oxiran-2-ylmethoxy)-5,8-dihydroanthracen-2-yl]methanol

[4-(hydroxymethyl)-6-methoxy-9,10-bis(oxiran-2-ylmethoxy)-5,8-dihydroanthracen-2-yl]methanol (PubChem CID 90147696) has the molecular formula C23H26O7 and a molecular weight of 414.45 g/mol. Its IUPAC name is [4-(hydroxymethyl)-6-methoxy-9,10-bis(oxiran-2-ylmethoxy)-5,8-dihydroanthracen-2-yl]methanol.

Molecular Properties

Compound Name[4-(hydroxymethyl)-6-methoxy-9,10-bis(oxiran-2-ylmethoxy)-5,8-dihydroanthracen-2-yl]methanol
PubChem CID90147696
Molecular FormulaC23H26O7
Molecular Weight414.45 g/mol
Exact Mass414.17
IUPAC Name[4-(hydroxymethyl)-6-methoxy-9,10-bis(oxiran-2-ylmethoxy)-5,8-dihydroanthracen-2-yl]methanol
SMILESCOC1=CCc2c(c(OCC3CO3)c3c(CO)cc(CO)cc3c2OCC2CO2)C1
InChIInChI=1S/C23H26O7/c1-26-15-2-3-18-19(6-15)23(30-12-17-10-28-17)21-14(8-25)4-13(7-24)5-20(21)22(18)29-11-16-9-27-16/h2,4-5,16-17,24-25H,3,6-12H2,1H3
InChIKeyZADDRVVANULHAQ-UHFFFAOYSA-N
XLogP2.01
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.45
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[3-[5-(hydroxymethyl)-2-(oxiran-2-ylmethoxy)-3-sulfanyloxyphenyl]-5-methoxy-4-(oxiran-2-ylmethoxy)phenyl]methanol
CID 166921870
2-[[4-[2-[3,5-diethyl-4-(oxiran-2-ylmethoxy)phenyl]ethyl]-2,6-diethylphenoxy]methyl]oxirane
CID 87442207
(E)-3-[3,5-dimethoxy-4-(oxiran-2-ylmethoxy)phenyl]prop-2-en-1-ol
CID 177209420
[3,5-bis(hydroxymethyl)-4-methoxyphenyl]methanol
CID 154087943
2-[[4-[4-(oxiran-2-ylmethoxy)-3,5-di(propan-2-yl)phenyl]-2,6-di(propan-2-yl)phenoxy]methyl]oxirane
CID 87443194
2-[[2,6-dimethoxy-4-(oxiran-2-ylmethoxymethyl)phenoxy]methyl]oxirane
CID 118245779
(1E,4E)-1,5-bis[3,5-dimethoxy-4-(oxiran-2-ylmethoxy)phenyl]penta-1,4-dien-3-one
CID 102029680
2-[(4,5-dichloro-2-methoxyphenoxy)methyl]oxirane
CID 58044663
[3-bromo-5-methoxy-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]methanol
CID 79171963
4-(hydroxymethyl)-2-methoxyphenol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 175343133
2-methoxy-4-(oxiran-2-ylmethoxy)naphthalen-1-ol
CID 121473061
2-[[2,6-bis(but-2-enyl)phenoxy]methyl]oxirane
CID 151780237

Frequently Asked Questions

What is the IUPAC name of [4-(hydroxymethyl)-6-methoxy-9,10-bis(oxiran-2-ylmethoxy)-5,8-dihydroanthracen-2-yl]methanol?
The IUPAC name of [4-(hydroxymethyl)-6-methoxy-9,10-bis(oxiran-2-ylmethoxy)-5,8-dihydroanthracen-2-yl]methanol (CID 90147696) is [4-(hydroxymethyl)-6-methoxy-9,10-bis(oxiran-2-ylmethoxy)-5,8-dihydroanthracen-2-yl]methanol.
What is the SMILES notation for [4-(hydroxymethyl)-6-methoxy-9,10-bis(oxiran-2-ylmethoxy)-5,8-dihydroanthracen-2-yl]methanol?
The canonical SMILES for [4-(hydroxymethyl)-6-methoxy-9,10-bis(oxiran-2-ylmethoxy)-5,8-dihydroanthracen-2-yl]methanol is COC1=CCc2c(c(OCC3CO3)c3c(CO)cc(CO)cc3c2OCC2CO2)C1.
What is the InChIKey of [4-(hydroxymethyl)-6-methoxy-9,10-bis(oxiran-2-ylmethoxy)-5,8-dihydroanthracen-2-yl]methanol?
The InChIKey is ZADDRVVANULHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26O7/c1-26-15-2-3-18-19(6-15)23(30-12-17-10-28-17)21-14(8-25)4-13(7-24)5-20(21)22(18)29-11-16-9-27-16/h2,4-5,16-17,24-25H,3,6-12H2,1H3.
What are the key properties of [4-(hydroxymethyl)-6-methoxy-9,10-bis(oxiran-2-ylmethoxy)-5,8-dihydroanthracen-2-yl]methanol?
[4-(hydroxymethyl)-6-methoxy-9,10-bis(oxiran-2-ylmethoxy)-5,8-dihydroanthracen-2-yl]methanol has a molecular weight of 414.45 g/mol, XLogP of 2.01, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethyl)-6-methoxy-9,10-bis(oxiran-2-ylmethoxy)-5,8-dihydroanthracen-2-yl]methanol is sourced from PubChem (CID 90147696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).