(3R,4R)-4-(4-hydroxy-2-methoxy-6-methylphenyl)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol

C23H22O5 — CID 170044914

IUPAC(3R,4R)-4-(4-hydroxy-2-methoxy-6-methylphenyl)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol
SMILESCOc1cc(O)cc(C)c1[C@H]1c2ccc(O)cc2OC[C@H]1c1ccc(O)cc1
InChIInChI=1S/C23H22O5/c1-13-9-17(26)11-21(27-2)22(13)23-18-8-7-16(25)10-20(18)28-12-19(23)14-3-5-15(24)6-4-14/h3-11,19,23-26H,12H2,1-2H3/t19-,23-/m0/s1
InChIKeyRAXLUELPMJLPBG-CVDCTZTESA-N
MW378.42 g/mol
LogP4.43
Rot. Bonds3

About (3R,4R)-4-(4-hydroxy-2-methoxy-6-methylphenyl)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol

(3R,4R)-4-(4-hydroxy-2-methoxy-6-methylphenyl)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol (PubChem CID 170044914) has the molecular formula C23H22O5 and a molecular weight of 378.42 g/mol. Its IUPAC name is (3R,4R)-4-(4-hydroxy-2-methoxy-6-methylphenyl)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol.

Molecular Properties

Compound Name(3R,4R)-4-(4-hydroxy-2-methoxy-6-methylphenyl)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol
PubChem CID170044914
Molecular FormulaC23H22O5
Molecular Weight378.42 g/mol
Exact Mass378.15
IUPAC Name(3R,4R)-4-(4-hydroxy-2-methoxy-6-methylphenyl)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol
SMILESCOc1cc(O)cc(C)c1[C@H]1c2ccc(O)cc2OC[C@H]1c1ccc(O)cc1
InChIInChI=1S/C23H22O5/c1-13-9-17(26)11-21(27-2)22(13)23-18-8-7-16(25)10-20(18)28-12-19(23)14-3-5-15(24)6-4-14/h3-11,19,23-26H,12H2,1-2H3/t19-,23-/m0/s1
InChIKeyRAXLUELPMJLPBG-CVDCTZTESA-N
XLogP4.43
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.42
LogP ≤ 54.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-(4-hydroxy-2-methoxy-6-methylphenyl)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol?
The IUPAC name of (3R,4R)-4-(4-hydroxy-2-methoxy-6-methylphenyl)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol (CID 170044914) is (3R,4R)-4-(4-hydroxy-2-methoxy-6-methylphenyl)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol.
What is the SMILES notation for (3R,4R)-4-(4-hydroxy-2-methoxy-6-methylphenyl)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol?
The canonical SMILES for (3R,4R)-4-(4-hydroxy-2-methoxy-6-methylphenyl)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol is COc1cc(O)cc(C)c1[C@H]1c2ccc(O)cc2OC[C@H]1c1ccc(O)cc1.
What is the InChIKey of (3R,4R)-4-(4-hydroxy-2-methoxy-6-methylphenyl)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol?
The InChIKey is RAXLUELPMJLPBG-CVDCTZTESA-N. The full InChI is InChI=1S/C23H22O5/c1-13-9-17(26)11-21(27-2)22(13)23-18-8-7-16(25)10-20(18)28-12-19(23)14-3-5-15(24)6-4-14/h3-11,19,23-26H,12H2,1-2H3/t19-,23-/m0/s1.
What are the key properties of (3R,4R)-4-(4-hydroxy-2-methoxy-6-methylphenyl)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol?
(3R,4R)-4-(4-hydroxy-2-methoxy-6-methylphenyl)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol has a molecular weight of 378.42 g/mol, XLogP of 4.43, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-(4-hydroxy-2-methoxy-6-methylphenyl)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol is sourced from PubChem (CID 170044914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).