(2R,3R)-5,7-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-3-ol

C18H20O5 — CID 6708630

IUPAC(2R,3R)-5,7-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-3-ol
SMILESCOc1ccc([C@H]2Oc3cc(OC)cc(OC)c3C[C@H]2O)cc1
InChIInChI=1S/C18H20O5/c1-20-12-6-4-11(5-7-12)18-15(19)10-14-16(22-3)8-13(21-2)9-17(14)23-18/h4-9,15,18-19H,10H2,1-3H3/t15-,18-/m1/s1
InChIKeyNMLBREXWQRPOJH-CRAIPNDOSA-N
MW316.35 g/mol
LogP2.75
Rot. Bonds4

About (2R,3R)-5,7-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-3-ol

(2R,3R)-5,7-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-3-ol (PubChem CID 6708630) has the molecular formula C18H20O5 and a molecular weight of 316.35 g/mol. Its IUPAC name is (2R,3R)-5,7-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-3-ol.

Molecular Properties

Compound Name(2R,3R)-5,7-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-3-ol
PubChem CID6708630
Molecular FormulaC18H20O5
Molecular Weight316.35 g/mol
Exact Mass316.13
IUPAC Name(2R,3R)-5,7-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-3-ol
SMILESCOc1ccc([C@H]2Oc3cc(OC)cc(OC)c3C[C@H]2O)cc1
InChIInChI=1S/C18H20O5/c1-20-12-6-4-11(5-7-12)18-15(19)10-14-16(22-3)8-13(21-2)9-17(14)23-18/h4-9,15,18-19H,10H2,1-3H3/t15-,18-/m1/s1
InChIKeyNMLBREXWQRPOJH-CRAIPNDOSA-N
XLogP2.75
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-5,7-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-3-ol?
The IUPAC name of (2R,3R)-5,7-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-3-ol (CID 6708630) is (2R,3R)-5,7-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-3-ol.
What is the SMILES notation for (2R,3R)-5,7-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-3-ol?
The canonical SMILES for (2R,3R)-5,7-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-3-ol is COc1ccc([C@H]2Oc3cc(OC)cc(OC)c3C[C@H]2O)cc1.
What is the InChIKey of (2R,3R)-5,7-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-3-ol?
The InChIKey is NMLBREXWQRPOJH-CRAIPNDOSA-N. The full InChI is InChI=1S/C18H20O5/c1-20-12-6-4-11(5-7-12)18-15(19)10-14-16(22-3)8-13(21-2)9-17(14)23-18/h4-9,15,18-19H,10H2,1-3H3/t15-,18-/m1/s1.
What are the key properties of (2R,3R)-5,7-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-3-ol?
(2R,3R)-5,7-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-3-ol has a molecular weight of 316.35 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-5,7-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-3-ol is sourced from PubChem (CID 6708630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).