(10S,11R)-10-(4-hydroxy-3-methoxyphenyl)-1-methoxy-6,9,10,11-tetrahydro-5H-naphtho[1,2-g]chromene-3,11-diol

C25H24O6 — CID 102121476

IUPAC(10S,11R)-10-(4-hydroxy-3-methoxyphenyl)-1-methoxy-6,9,10,11-tetrahydro-5H-naphtho[1,2-g]chromene-3,11-diol
SMILESCOc1cc([C@H]2COc3cc4c(cc3[C@@H]2O)-c2c(cc(O)cc2OC)CC4)ccc1O
InChIInChI=1S/C25H24O6/c1-29-22-9-14(5-6-20(22)27)19-12-31-21-8-13-3-4-15-7-16(26)10-23(30-2)24(15)17(13)11-18(21)25(19)28/h5-11,19,25-28H,3-4,12H2,1-2H3/t19-,25+/m1/s1
InChIKeyMLJDLFSBMGJEHK-CLOONOSVSA-N
MW420.46 g/mol
LogP4.09
Rot. Bonds3

About (10S,11R)-10-(4-hydroxy-3-methoxyphenyl)-1-methoxy-6,9,10,11-tetrahydro-5H-naphtho[1,2-g]chromene-3,11-diol

(10S,11R)-10-(4-hydroxy-3-methoxyphenyl)-1-methoxy-6,9,10,11-tetrahydro-5H-naphtho[1,2-g]chromene-3,11-diol (PubChem CID 102121476) has the molecular formula C25H24O6 and a molecular weight of 420.46 g/mol. Its IUPAC name is (10S,11R)-10-(4-hydroxy-3-methoxyphenyl)-1-methoxy-6,9,10,11-tetrahydro-5H-naphtho[1,2-g]chromene-3,11-diol.

Molecular Properties

Compound Name(10S,11R)-10-(4-hydroxy-3-methoxyphenyl)-1-methoxy-6,9,10,11-tetrahydro-5H-naphtho[1,2-g]chromene-3,11-diol
PubChem CID102121476
Molecular FormulaC25H24O6
Molecular Weight420.46 g/mol
Exact Mass420.16
IUPAC Name(10S,11R)-10-(4-hydroxy-3-methoxyphenyl)-1-methoxy-6,9,10,11-tetrahydro-5H-naphtho[1,2-g]chromene-3,11-diol
SMILESCOc1cc([C@H]2COc3cc4c(cc3[C@@H]2O)-c2c(cc(O)cc2OC)CC4)ccc1O
InChIInChI=1S/C25H24O6/c1-29-22-9-14(5-6-20(22)27)19-12-31-21-8-13-3-4-15-7-16(26)10-23(30-2)24(15)17(13)11-18(21)25(19)28/h5-11,19,25-28H,3-4,12H2,1-2H3/t19-,25+/m1/s1
InChIKeyMLJDLFSBMGJEHK-CLOONOSVSA-N
XLogP4.09
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.46
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (10S,11R)-10-(4-hydroxy-3-methoxyphenyl)-1-methoxy-6,9,10,11-tetrahydro-5H-naphtho[1,2-g]chromene-3,11-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (10S,11R)-10-(4-hydroxy-3-methoxyphenyl)-1-methoxy-6,9,10,11-tetrahydro-5H-naphtho[1,2-g]chromene-3,11-diol?
The IUPAC name of (10S,11R)-10-(4-hydroxy-3-methoxyphenyl)-1-methoxy-6,9,10,11-tetrahydro-5H-naphtho[1,2-g]chromene-3,11-diol (CID 102121476) is (10S,11R)-10-(4-hydroxy-3-methoxyphenyl)-1-methoxy-6,9,10,11-tetrahydro-5H-naphtho[1,2-g]chromene-3,11-diol.
What is the SMILES notation for (10S,11R)-10-(4-hydroxy-3-methoxyphenyl)-1-methoxy-6,9,10,11-tetrahydro-5H-naphtho[1,2-g]chromene-3,11-diol?
The canonical SMILES for (10S,11R)-10-(4-hydroxy-3-methoxyphenyl)-1-methoxy-6,9,10,11-tetrahydro-5H-naphtho[1,2-g]chromene-3,11-diol is COc1cc([C@H]2COc3cc4c(cc3[C@@H]2O)-c2c(cc(O)cc2OC)CC4)ccc1O.
What is the InChIKey of (10S,11R)-10-(4-hydroxy-3-methoxyphenyl)-1-methoxy-6,9,10,11-tetrahydro-5H-naphtho[1,2-g]chromene-3,11-diol?
The InChIKey is MLJDLFSBMGJEHK-CLOONOSVSA-N. The full InChI is InChI=1S/C25H24O6/c1-29-22-9-14(5-6-20(22)27)19-12-31-21-8-13-3-4-15-7-16(26)10-23(30-2)24(15)17(13)11-18(21)25(19)28/h5-11,19,25-28H,3-4,12H2,1-2H3/t19-,25+/m1/s1.
What are the key properties of (10S,11R)-10-(4-hydroxy-3-methoxyphenyl)-1-methoxy-6,9,10,11-tetrahydro-5H-naphtho[1,2-g]chromene-3,11-diol?
(10S,11R)-10-(4-hydroxy-3-methoxyphenyl)-1-methoxy-6,9,10,11-tetrahydro-5H-naphtho[1,2-g]chromene-3,11-diol has a molecular weight of 420.46 g/mol, XLogP of 4.09, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (10S,11R)-10-(4-hydroxy-3-methoxyphenyl)-1-methoxy-6,9,10,11-tetrahydro-5H-naphtho[1,2-g]chromene-3,11-diol is sourced from PubChem (CID 102121476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).