11-(2-hydroxyethoxy)-2-(4-hydroxy-3-methoxyphenyl)-5-[2-[2-(methoxymethyl)-1,2-dihydroimidazol-3-yl]ethyl]-3,4,5,6-tetrahydro-2H-naphtho[2,1-f]chromene-3,8-diol

C33H38N2O8 — CID 163153482

IUPAC11-(2-hydroxyethoxy)-2-(4-hydroxy-3-methoxyphenyl)-5-[2-[2-(methoxymethyl)-1,2-dihydroimidazol-3-yl]ethyl]-3,4,5,6-tetrahydro-2H-naphtho[2,1-f]chromene-3,8-diol
SMILESCOCC1NC=CN1CCC1Cc2cc(O)ccc2-c2c(OCCO)cc3c(c21)CC(O)C(c1ccc(O)c(OC)c1)O3
InChIInChI=1S/C33H38N2O8/c1-40-18-30-34-8-10-35(30)9-7-19-13-21-14-22(37)4-5-23(21)32-29(42-12-11-36)17-27-24(31(19)32)16-26(39)33(43-27)20-3-6-25(38)28(15-20)41-2/h3-6,8,10,14-15,17,19,26,30,33-34,36-39H,7,9,11-13,16,18H2,1-2H3
InChIKeyOFQXUSHCXIYKEN-UHFFFAOYSA-N
MW590.67 g/mol
LogP3.56
Rot. Bonds10

About 11-(2-hydroxyethoxy)-2-(4-hydroxy-3-methoxyphenyl)-5-[2-[2-(methoxymethyl)-1,2-dihydroimidazol-3-yl]ethyl]-3,4,5,6-tetrahydro-2H-naphtho[2,1-f]chromene-3,8-diol

11-(2-hydroxyethoxy)-2-(4-hydroxy-3-methoxyphenyl)-5-[2-[2-(methoxymethyl)-1,2-dihydroimidazol-3-yl]ethyl]-3,4,5,6-tetrahydro-2H-naphtho[2,1-f]chromene-3,8-diol (PubChem CID 163153482) has the molecular formula C33H38N2O8 and a molecular weight of 590.67 g/mol. Its IUPAC name is 11-(2-hydroxyethoxy)-2-(4-hydroxy-3-methoxyphenyl)-5-[2-[2-(methoxymethyl)-1,2-dihydroimidazol-3-yl]ethyl]-3,4,5,6-tetrahydro-2H-naphtho[2,1-f]chromene-3,8-diol.

Molecular Properties

Compound Name11-(2-hydroxyethoxy)-2-(4-hydroxy-3-methoxyphenyl)-5-[2-[2-(methoxymethyl)-1,2-dihydroimidazol-3-yl]ethyl]-3,4,5,6-tetrahydro-2H-naphtho[2,1-f]chromene-3,8-diol
PubChem CID163153482
Molecular FormulaC33H38N2O8
Molecular Weight590.67 g/mol
Exact Mass590.26
IUPAC Name11-(2-hydroxyethoxy)-2-(4-hydroxy-3-methoxyphenyl)-5-[2-[2-(methoxymethyl)-1,2-dihydroimidazol-3-yl]ethyl]-3,4,5,6-tetrahydro-2H-naphtho[2,1-f]chromene-3,8-diol
SMILESCOCC1NC=CN1CCC1Cc2cc(O)ccc2-c2c(OCCO)cc3c(c21)CC(O)C(c1ccc(O)c(OC)c1)O3
InChIInChI=1S/C33H38N2O8/c1-40-18-30-34-8-10-35(30)9-7-19-13-21-14-22(37)4-5-23(21)32-29(42-12-11-36)17-27-24(31(19)32)16-26(39)33(43-27)20-3-6-25(38)28(15-20)41-2/h3-6,8,10,14-15,17,19,26,30,33-34,36-39H,7,9,11-13,16,18H2,1-2H3
InChIKeyOFQXUSHCXIYKEN-UHFFFAOYSA-N
XLogP3.56
TPSA133.11 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500590.67
LogP ≤ 53.56
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Analyze 11-(2-hydroxyethoxy)-2-(4-hydroxy-3-methoxyphenyl)-5-[2-[2-(methoxymethyl)-1,2-dihydroimidazol-3-yl]ethyl]-3,4,5,6-tetrahydro-2H-naphtho[2,1-f]chromene-3,8-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11-(2-hydroxyethoxy)-2-(4-hydroxy-3-methoxyphenyl)-5-[2-[2-(methoxymethyl)-1,2-dihydroimidazol-3-yl]ethyl]-3,4,5,6-tetrahydro-2H-naphtho[2,1-f]chromene-3,8-diol?
The IUPAC name of 11-(2-hydroxyethoxy)-2-(4-hydroxy-3-methoxyphenyl)-5-[2-[2-(methoxymethyl)-1,2-dihydroimidazol-3-yl]ethyl]-3,4,5,6-tetrahydro-2H-naphtho[2,1-f]chromene-3,8-diol (CID 163153482) is 11-(2-hydroxyethoxy)-2-(4-hydroxy-3-methoxyphenyl)-5-[2-[2-(methoxymethyl)-1,2-dihydroimidazol-3-yl]ethyl]-3,4,5,6-tetrahydro-2H-naphtho[2,1-f]chromene-3,8-diol.
What is the SMILES notation for 11-(2-hydroxyethoxy)-2-(4-hydroxy-3-methoxyphenyl)-5-[2-[2-(methoxymethyl)-1,2-dihydroimidazol-3-yl]ethyl]-3,4,5,6-tetrahydro-2H-naphtho[2,1-f]chromene-3,8-diol?
The canonical SMILES for 11-(2-hydroxyethoxy)-2-(4-hydroxy-3-methoxyphenyl)-5-[2-[2-(methoxymethyl)-1,2-dihydroimidazol-3-yl]ethyl]-3,4,5,6-tetrahydro-2H-naphtho[2,1-f]chromene-3,8-diol is COCC1NC=CN1CCC1Cc2cc(O)ccc2-c2c(OCCO)cc3c(c21)CC(O)C(c1ccc(O)c(OC)c1)O3.
What is the InChIKey of 11-(2-hydroxyethoxy)-2-(4-hydroxy-3-methoxyphenyl)-5-[2-[2-(methoxymethyl)-1,2-dihydroimidazol-3-yl]ethyl]-3,4,5,6-tetrahydro-2H-naphtho[2,1-f]chromene-3,8-diol?
The InChIKey is OFQXUSHCXIYKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38N2O8/c1-40-18-30-34-8-10-35(30)9-7-19-13-21-14-22(37)4-5-23(21)32-29(42-12-11-36)17-27-24(31(19)32)16-26(39)33(43-27)20-3-6-25(38)28(15-20)41-2/h3-6,8,10,14-15,17,19,26,30,33-34,36-39H,7,9,11-13,16,18H2,1-2H3.
What are the key properties of 11-(2-hydroxyethoxy)-2-(4-hydroxy-3-methoxyphenyl)-5-[2-[2-(methoxymethyl)-1,2-dihydroimidazol-3-yl]ethyl]-3,4,5,6-tetrahydro-2H-naphtho[2,1-f]chromene-3,8-diol?
11-(2-hydroxyethoxy)-2-(4-hydroxy-3-methoxyphenyl)-5-[2-[2-(methoxymethyl)-1,2-dihydroimidazol-3-yl]ethyl]-3,4,5,6-tetrahydro-2H-naphtho[2,1-f]chromene-3,8-diol has a molecular weight of 590.67 g/mol, XLogP of 3.56, 10 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(2-hydroxyethoxy)-2-(4-hydroxy-3-methoxyphenyl)-5-[2-[2-(methoxymethyl)-1,2-dihydroimidazol-3-yl]ethyl]-3,4,5,6-tetrahydro-2H-naphtho[2,1-f]chromene-3,8-diol is sourced from PubChem (CID 163153482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).