(4R)-4-(3-hydroxy-4-methoxyphenyl)-5,7-dimethoxy-3,4-dihydrochromen-2-one;(4S)-4-(3-hydroxy-4-methoxyphenyl)-5,7-dimethoxy-3,4-dihydrochromen-2-one;(4R)-4-(3-hydroxy-4-methoxyphenyl)-7-methoxy-3,4-dihydrochromen-2-one;(4S)-4-(3-hydroxy-4-methoxyphenyl)-7-methoxy-3,4-dihydrochromen-2-one;(4R)-4-(4-hydroxyphenyl)-5,7-dimethoxy-3,4-dihydrochromen-2-one;(4S)-4-(4-hydroxyphenyl)-5,7-dimethoxy-3,4-dihydrochromen-2-one

C104H100O32 — CID 159529781

IUPAC(4R)-4-(3-hydroxy-4-methoxyphenyl)-5,7-dimethoxy-3,4-dihydrochromen-2-one;(4S)-4-(3-hydroxy-4-methoxyphenyl)-5,7-dimethoxy-3,4-dihydrochromen-2-one;(4R)-4-(3-hydroxy-4-methoxyphenyl)-7-methoxy-3,4-dihydrochromen-2-one;(4S)-4-(3-hydroxy-4-methoxyphenyl)-7-methoxy-3,4-dihydrochromen-2-one;(4R)-4-(4-hydroxyphenyl)-5,7-dimethoxy-3,4-dihydrochromen-2-one;(4S)-4-(4-hydroxyphenyl)-5,7-dimethoxy-3,4-dihydrochromen-2-one
SMILESCOc1cc(OC)c2c(c1)OC(=O)C[C@@H]2c1ccc(O)cc1.COc1cc(OC)c2c(c1)OC(=O)C[C@@H]2c1ccc(OC)c(O)c1.COc1cc(OC)c2c(c1)OC(=O)C[C@H]2c1ccc(O)cc1.COc1cc(OC)c2c(c1)OC(=O)C[C@H]2c1ccc(OC)c(O)c1.COc1ccc2c(c1)OC(=O)C[C@@H]2c1ccc(OC)c(O)c1.COc1ccc2c(c1)OC(=O)C[C@H]2c1ccc(OC)c(O)c1
InChIInChI=1S/2C18H18O6.4C17H16O5/c2*1-21-11-7-15(23-3)18-12(9-17(20)24-16(18)8-11)10-4-5-14(22-2)13(19)6-10;2*1-20-11-4-5-12-13(9-17(19)22-16(12)8-11)10-3-6-15(21-2)14(18)7-10;2*1-20-12-7-14(21-2)17-13(9-16(19)22-15(17)8-12)10-3-5-11(18)6-4-10/h2*4-8,12,19H,9H2,1-3H3;4*3-8,13,18H,9H2,1-2H3/t2*12-;4*13-/m101010/s1
InChIKeyMCVOTBHMSXZNHX-HJUULWSFSA-N
MW1861.91 g/mol
LogP17.12
Rot. Bonds20

About (4R)-4-(3-hydroxy-4-methoxyphenyl)-5,7-dimethoxy-3,4-dihydrochromen-2-one;(4S)-4-(3-hydroxy-4-methoxyphenyl)-5,7-dimethoxy-3,4-dihydrochromen-2-one;(4R)-4-(3-hydroxy-4-methoxyphenyl)-7-methoxy-3,4-dihydrochromen-2-one;(4S)-4-(3-hydroxy-4-methoxyphenyl)-7-methoxy-3,4-dihydrochromen-2-one;(4R)-4-(4-hydroxyphenyl)-5,7-dimethoxy-3,4-dihydrochromen-2-one;(4S)-4-(4-hydroxyphenyl)-5,7-dimethoxy-3,4-dihydrochromen-2-one

(4R)-4-(3-hydroxy-4-methoxyphenyl)-5,7-dimethoxy-3,4-dihydrochromen-2-one;(4S)-4-(3-hydroxy-4-methoxyphenyl)-5,7-dimethoxy-3,4-dihydrochromen-2-one;(4R)-4-(3-hydroxy-4-methoxyphenyl)-7-methoxy-3,4-dihydrochromen-2-one;(4S)-4-(3-hydroxy-4-methoxyphenyl)-7-methoxy-3,4-dihydrochromen-2-one;(4R)-4-(4-hydroxyphenyl)-5,7-dimethoxy-3,4-dihydrochromen-2-one;(4S)-4-(4-hydroxyphenyl)-5,7-dimethoxy-3,4-dihydrochromen-2-one (PubChem CID 159529781) has the molecular formula C104H100O32 and a molecular weight of 1861.91 g/mol. Its IUPAC name is (4R)-4-(3-hydroxy-4-methoxyphenyl)-5,7-dimethoxy-3,4-dihydrochromen-2-one;(4S)-4-(3-hydroxy-4-methoxyphenyl)-5,7-dimethoxy-3,4-dihydrochromen-2-one;(4R)-4-(3-hydroxy-4-methoxyphenyl)-7-methoxy-3,4-dihydrochromen-2-one;(4S)-4-(3-hydroxy-4-methoxyphenyl)-7-methoxy-3,4-dihydrochromen-2-one;(4R)-4-(4-hydroxyphenyl)-5,7-dimethoxy-3,4-dihydrochromen-2-one;(4S)-4-(4-hydroxyphenyl)-5,7-dimethoxy-3,4-dihydrochromen-2-one.

Molecular Properties

Compound Name(4R)-4-(3-hydroxy-4-methoxyphenyl)-5,7-dimethoxy-3,4-dihydrochromen-2-one;(4S)-4-(3-hydroxy-4-methoxyphenyl)-5,7-dimethoxy-3,4-dihydrochromen-2-one;(4R)-4-(3-hydroxy-4-methoxyphenyl)-7-methoxy-3,4-dihydrochromen-2-one;(4S)-4-(3-hydroxy-4-methoxyphenyl)-7-methoxy-3,4-dihydrochromen-2-one;(4R)-4-(4-hydroxyphenyl)-5,7-dimethoxy-3,4-dihydrochromen-2-one;(4S)-4-(4-hydroxyphenyl)-5,7-dimethoxy-3,4-dihydrochromen-2-one
PubChem CID159529781
Molecular FormulaC104H100O32
Molecular Weight1861.91 g/mol
Exact Mass1860.62
IUPAC Name(4R)-4-(3-hydroxy-4-methoxyphenyl)-5,7-dimethoxy-3,4-dihydrochromen-2-one;(4S)-4-(3-hydroxy-4-methoxyphenyl)-5,7-dimethoxy-3,4-dihydrochromen-2-one;(4R)-4-(3-hydroxy-4-methoxyphenyl)-7-methoxy-3,4-dihydrochromen-2-one;(4S)-4-(3-hydroxy-4-methoxyphenyl)-7-methoxy-3,4-dihydrochromen-2-one;(4R)-4-(4-hydroxyphenyl)-5,7-dimethoxy-3,4-dihydrochromen-2-one;(4S)-4-(4-hydroxyphenyl)-5,7-dimethoxy-3,4-dihydrochromen-2-one
SMILESCOc1cc(OC)c2c(c1)OC(=O)C[C@@H]2c1ccc(O)cc1.COc1cc(OC)c2c(c1)OC(=O)C[C@@H]2c1ccc(OC)c(O)c1.COc1cc(OC)c2c(c1)OC(=O)C[C@H]2c1ccc(O)cc1.COc1cc(OC)c2c(c1)OC(=O)C[C@H]2c1ccc(OC)c(O)c1.COc1ccc2c(c1)OC(=O)C[C@@H]2c1ccc(OC)c(O)c1.COc1ccc2c(c1)OC(=O)C[C@H]2c1ccc(OC)c(O)c1
InChIInChI=1S/2C18H18O6.4C17H16O5/c2*1-21-11-7-15(23-3)18-12(9-17(20)24-16(18)8-11)10-4-5-14(22-2)13(19)6-10;2*1-20-11-4-5-12-13(9-17(19)22-16(12)8-11)10-3-6-15(21-2)14(18)7-10;2*1-20-12-7-14(21-2)17-13(9-16(19)22-15(17)8-12)10-3-5-11(18)6-4-10/h2*4-8,12,19H,9H2,1-3H3;4*3-8,13,18H,9H2,1-2H3/t2*12-;4*13-/m101010/s1
InChIKeyMCVOTBHMSXZNHX-HJUULWSFSA-N
XLogP17.12
TPSA408.40 Ų
H-Bond Donors6
H-Bond Acceptors32
Rotatable Bonds20
Heavy Atoms136
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001861.91
LogP ≤ 517.12
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze (4R)-4-(3-hydroxy-4-methoxyphenyl)-5,7-dimethoxy-3,4-dihydrochromen-2-one;(4S)-4-(3-hydroxy-4-methoxyphenyl)-5,7-dimethoxy-3,4-dihydrochromen-2-one;(4R)-4-(3-hydroxy-4-methoxyphenyl)-7-methoxy-3,4-dihydrochromen-2-one;(4S)-4-(3-hydroxy-4-methoxyphenyl)-7-methoxy-3,4-dihydrochromen-2-one;(4R)-4-(4-hydroxyphenyl)-5,7-dimethoxy-3,4-dihydrochromen-2-one;(4S)-4-(4-hydroxyphenyl)-5,7-dimethoxy-3,4-dihydrochromen-2-one with MolForge

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Related Compounds

(4R)-5-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-7-methoxy-3,4-dihydrochromen-2-one;(4S)-5-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-7-methoxy-3,4-dihydrochromen-2-one;(4R)-4-(4-hydroxyphenyl)-7-propoxy-3,4-dihydrochromen-2-one;(4S)-4-(4-hydroxyphenyl)-7-propoxy-3,4-dihydrochromen-2-one;(4R)-7-methoxy-4-(4-methoxyphenyl)-3,4-dihydrochromen-2-one;(4S)-7-methoxy-4-(4-methoxyphenyl)-3,4-dihydrochromen-2-one
CID 159625686
(4S)-5,7-dimethoxy-4-(4-methoxyphenyl)-3,4-dihydrochromen-2-one
CID 6540146
(4S)-5-hydroxy-7-methoxy-4-(4-methoxyphenyl)-3,4-dihydrochromen-2-one
CID 71533318
4-(3-hydroxy-4-methoxyphenyl)-5,6,7-trimethoxy-3,4-dihydrochromen-2-one
CID 102564866
[5-(5,7-dimethoxy-2-oxo-3,4-dihydrochromen-4-yl)-2-methoxyphenyl] acetate
CID 11530842
(4R)-7-ethoxy-4-(4-hydroxy-3-methoxyphenyl)-3,4-dihydrochromen-2-one;(4S)-7-ethoxy-4-(4-hydroxy-3-methoxyphenyl)-3,4-dihydrochromen-2-one
CID 158798146
5,7-dihydroxy-4-(4-methoxyphenyl)-3,4-dihydrochromen-2-one
CID 11460348
(10S)-5-hydroxy-10-(3-hydroxy-4-methoxyphenyl)-2-(4-hydroxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 99997272
7-hydroxy-4-(4-hydroxyphenyl)-3,4-dihydrochromen-2-one
CID 78101646
5-hydroxy-8-(3-hydroxy-4-methoxyphenyl)-4-(4-hydroxyphenyl)-3,4,7,8-tetrahydropyrano[3,2-g]chromene-2,6-dione
CID 169178516
(10S)-5-hydroxy-10-(3-hydroxy-4-methoxyphenyl)-3-(4-hydroxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 97424618
(4S)-5,7-dimethoxy-4-(3,4,5-trimethoxyphenyl)-3,4-dihydrochromen-2-one
CID 6540112

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(3-hydroxy-4-methoxyphenyl)-5,7-dimethoxy-3,4-dihydrochromen-2-one;(4S)-4-(3-hydroxy-4-methoxyphenyl)-5,7-dimethoxy-3,4-dihydrochromen-2-one;(4R)-4-(3-hydroxy-4-methoxyphenyl)-7-methoxy-3,4-dihydrochromen-2-one;(4S)-4-(3-hydroxy-4-methoxyphenyl)-7-methoxy-3,4-dihydrochromen-2-one;(4R)-4-(4-hydroxyphenyl)-5,7-dimethoxy-3,4-dihydrochromen-2-one;(4S)-4-(4-hydroxyphenyl)-5,7-dimethoxy-3,4-dihydrochromen-2-one?
The IUPAC name of (4R)-4-(3-hydroxy-4-methoxyphenyl)-5,7-dimethoxy-3,4-dihydrochromen-2-one;(4S)-4-(3-hydroxy-4-methoxyphenyl)-5,7-dimethoxy-3,4-dihydrochromen-2-one;(4R)-4-(3-hydroxy-4-methoxyphenyl)-7-methoxy-3,4-dihydrochromen-2-one;(4S)-4-(3-hydroxy-4-methoxyphenyl)-7-methoxy-3,4-dihydrochromen-2-one;(4R)-4-(4-hydroxyphenyl)-5,7-dimethoxy-3,4-dihydrochromen-2-one;(4S)-4-(4-hydroxyphenyl)-5,7-dimethoxy-3,4-dihydrochromen-2-one (CID 159529781) is (4R)-4-(3-hydroxy-4-methoxyphenyl)-5,7-dimethoxy-3,4-dihydrochromen-2-one;(4S)-4-(3-hydroxy-4-methoxyphenyl)-5,7-dimethoxy-3,4-dihydrochromen-2-one;(4R)-4-(3-hydroxy-4-methoxyphenyl)-7-methoxy-3,4-dihydrochromen-2-one;(4S)-4-(3-hydroxy-4-methoxyphenyl)-7-methoxy-3,4-dihydrochromen-2-one;(4R)-4-(4-hydroxyphenyl)-5,7-dimethoxy-3,4-dihydrochromen-2-one;(4S)-4-(4-hydroxyphenyl)-5,7-dimethoxy-3,4-dihydrochromen-2-one.
What is the SMILES notation for (4R)-4-(3-hydroxy-4-methoxyphenyl)-5,7-dimethoxy-3,4-dihydrochromen-2-one;(4S)-4-(3-hydroxy-4-methoxyphenyl)-5,7-dimethoxy-3,4-dihydrochromen-2-one;(4R)-4-(3-hydroxy-4-methoxyphenyl)-7-methoxy-3,4-dihydrochromen-2-one;(4S)-4-(3-hydroxy-4-methoxyphenyl)-7-methoxy-3,4-dihydrochromen-2-one;(4R)-4-(4-hydroxyphenyl)-5,7-dimethoxy-3,4-dihydrochromen-2-one;(4S)-4-(4-hydroxyphenyl)-5,7-dimethoxy-3,4-dihydrochromen-2-one?
The canonical SMILES for (4R)-4-(3-hydroxy-4-methoxyphenyl)-5,7-dimethoxy-3,4-dihydrochromen-2-one;(4S)-4-(3-hydroxy-4-methoxyphenyl)-5,7-dimethoxy-3,4-dihydrochromen-2-one;(4R)-4-(3-hydroxy-4-methoxyphenyl)-7-methoxy-3,4-dihydrochromen-2-one;(4S)-4-(3-hydroxy-4-methoxyphenyl)-7-methoxy-3,4-dihydrochromen-2-one;(4R)-4-(4-hydroxyphenyl)-5,7-dimethoxy-3,4-dihydrochromen-2-one;(4S)-4-(4-hydroxyphenyl)-5,7-dimethoxy-3,4-dihydrochromen-2-one is COc1cc(OC)c2c(c1)OC(=O)C[C@@H]2c1ccc(O)cc1.COc1cc(OC)c2c(c1)OC(=O)C[C@@H]2c1ccc(OC)c(O)c1.COc1cc(OC)c2c(c1)OC(=O)C[C@H]2c1ccc(O)cc1.COc1cc(OC)c2c(c1)OC(=O)C[C@H]2c1ccc(OC)c(O)c1.COc1ccc2c(c1)OC(=O)C[C@@H]2c1ccc(OC)c(O)c1.COc1ccc2c(c1)OC(=O)C[C@H]2c1ccc(OC)c(O)c1.
What is the InChIKey of (4R)-4-(3-hydroxy-4-methoxyphenyl)-5,7-dimethoxy-3,4-dihydrochromen-2-one;(4S)-4-(3-hydroxy-4-methoxyphenyl)-5,7-dimethoxy-3,4-dihydrochromen-2-one;(4R)-4-(3-hydroxy-4-methoxyphenyl)-7-methoxy-3,4-dihydrochromen-2-one;(4S)-4-(3-hydroxy-4-methoxyphenyl)-7-methoxy-3,4-dihydrochromen-2-one;(4R)-4-(4-hydroxyphenyl)-5,7-dimethoxy-3,4-dihydrochromen-2-one;(4S)-4-(4-hydroxyphenyl)-5,7-dimethoxy-3,4-dihydrochromen-2-one?
The InChIKey is MCVOTBHMSXZNHX-HJUULWSFSA-N. The full InChI is InChI=1S/2C18H18O6.4C17H16O5/c2*1-21-11-7-15(23-3)18-12(9-17(20)24-16(18)8-11)10-4-5-14(22-2)13(19)6-10;2*1-20-11-4-5-12-13(9-17(19)22-16(12)8-11)10-3-6-15(21-2)14(18)7-10;2*1-20-12-7-14(21-2)17-13(9-16(19)22-15(17)8-12)10-3-5-11(18)6-4-10/h2*4-8,12,19H,9H2,1-3H3;4*3-8,13,18H,9H2,1-2H3/t2*12-;4*13-/m101010/s1.
What are the key properties of (4R)-4-(3-hydroxy-4-methoxyphenyl)-5,7-dimethoxy-3,4-dihydrochromen-2-one;(4S)-4-(3-hydroxy-4-methoxyphenyl)-5,7-dimethoxy-3,4-dihydrochromen-2-one;(4R)-4-(3-hydroxy-4-methoxyphenyl)-7-methoxy-3,4-dihydrochromen-2-one;(4S)-4-(3-hydroxy-4-methoxyphenyl)-7-methoxy-3,4-dihydrochromen-2-one;(4R)-4-(4-hydroxyphenyl)-5,7-dimethoxy-3,4-dihydrochromen-2-one;(4S)-4-(4-hydroxyphenyl)-5,7-dimethoxy-3,4-dihydrochromen-2-one?
(4R)-4-(3-hydroxy-4-methoxyphenyl)-5,7-dimethoxy-3,4-dihydrochromen-2-one;(4S)-4-(3-hydroxy-4-methoxyphenyl)-5,7-dimethoxy-3,4-dihydrochromen-2-one;(4R)-4-(3-hydroxy-4-methoxyphenyl)-7-methoxy-3,4-dihydrochromen-2-one;(4S)-4-(3-hydroxy-4-methoxyphenyl)-7-methoxy-3,4-dihydrochromen-2-one;(4R)-4-(4-hydroxyphenyl)-5,7-dimethoxy-3,4-dihydrochromen-2-one;(4S)-4-(4-hydroxyphenyl)-5,7-dimethoxy-3,4-dihydrochromen-2-one has a molecular weight of 1861.91 g/mol, XLogP of 17.12, 20 rotatable bonds, 6 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(3-hydroxy-4-methoxyphenyl)-5,7-dimethoxy-3,4-dihydrochromen-2-one;(4S)-4-(3-hydroxy-4-methoxyphenyl)-5,7-dimethoxy-3,4-dihydrochromen-2-one;(4R)-4-(3-hydroxy-4-methoxyphenyl)-7-methoxy-3,4-dihydrochromen-2-one;(4S)-4-(3-hydroxy-4-methoxyphenyl)-7-methoxy-3,4-dihydrochromen-2-one;(4R)-4-(4-hydroxyphenyl)-5,7-dimethoxy-3,4-dihydrochromen-2-one;(4S)-4-(4-hydroxyphenyl)-5,7-dimethoxy-3,4-dihydrochromen-2-one is sourced from PubChem (CID 159529781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).