3-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-2H-chromen-7-ol;4-(4-methoxyphenyl)-3-(4-methylphenyl)-3,4-dihydro-2H-chromen-7-ol

C45H40O7 — CID 158379038

About 3-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-2H-chromen-7-ol;4-(4-methoxyphenyl)-3-(4-methylphenyl)-3,4-dihydro-2H-chromen-7-ol

3-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-2H-chromen-7-ol;4-(4-methoxyphenyl)-3-(4-methylphenyl)-3,4-dihydro-2H-chromen-7-ol (PubChem CID 158379038) has the molecular formula C45H40O7 and a molecular weight of 692.81 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-2H-chromen-7-ol;4-(4-methoxyphenyl)-3-(4-methylphenyl)-3,4-dihydro-2H-chromen-7-ol.

Molecular Properties

• Compound Name: 3-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-2H-chromen-7-ol;4-(4-methoxyphenyl)-3-(4-methylphenyl)-3,4-dihydro-2H-chromen-7-ol
• PubChem CID: 158379038
• Molecular Formula: C45H40O7
• Molecular Weight: 692.81 g/mol
• Exact Mass: 692.28
• IUPAC Name: 3-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-2H-chromen-7-ol;4-(4-methoxyphenyl)-3-(4-methylphenyl)-3,4-dihydro-2H-chromen-7-ol
• SMILES: COc1ccc(C2=C(c3ccc(O)cc3)COc3cc(O)ccc32)cc1.COc1ccc(C2c3ccc(O)cc3OCC2c2ccc(C)cc2)cc1
• InChI: InChI=1S/C23H22O3.C22H18O4/c1-15-3-5-16(6-4-15)21-14-26-22-13-18(24)9-12-20(22)23(21)17-7-10-19(25-2)11-8-17;1-25-18-9-4-15(5-10-18)22-19-11-8-17(24)12-21(19)26-13-20(22)14-2-6-16(23)7-3-14/h3-13,21,23-24H,14H2,1-2H3;2-12,23-24H,13H2,1H3
• InChIKey: GVODXBHINZFHKR-UHFFFAOYSA-N
• XLogP: 9.48
• TPSA: 97.61 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	692.81
LogP ≤ 5	9.48
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-2H-chromen-7-ol;4-(4-methoxyphenyl)-3-(4-methylphenyl)-3,4-dihydro-2H-chromen-7-ol?

The IUPAC name of 3-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-2H-chromen-7-ol;4-(4-methoxyphenyl)-3-(4-methylphenyl)-3,4-dihydro-2H-chromen-7-ol (CID 158379038) is 3-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-2H-chromen-7-ol;4-(4-methoxyphenyl)-3-(4-methylphenyl)-3,4-dihydro-2H-chromen-7-ol.

What is the SMILES notation for 3-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-2H-chromen-7-ol;4-(4-methoxyphenyl)-3-(4-methylphenyl)-3,4-dihydro-2H-chromen-7-ol?

The canonical SMILES for 3-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-2H-chromen-7-ol;4-(4-methoxyphenyl)-3-(4-methylphenyl)-3,4-dihydro-2H-chromen-7-ol is COc1ccc(C2=C(c3ccc(O)cc3)COc3cc(O)ccc32)cc1.COc1ccc(C2c3ccc(O)cc3OCC2c2ccc(C)cc2)cc1.

What is the InChIKey of 3-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-2H-chromen-7-ol;4-(4-methoxyphenyl)-3-(4-methylphenyl)-3,4-dihydro-2H-chromen-7-ol?

The InChIKey is GVODXBHINZFHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22O3.C22H18O4/c1-15-3-5-16(6-4-15)21-14-26-22-13-18(24)9-12-20(22)23(21)17-7-10-19(25-2)11-8-17;1-25-18-9-4-15(5-10-18)22-19-11-8-17(24)12-21(19)26-13-20(22)14-2-6-16(23)7-3-14/h3-13,21,23-24H,14H2,1-2H3;2-12,23-24H,13H2,1H3.

What are the key properties of 3-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-2H-chromen-7-ol;4-(4-methoxyphenyl)-3-(4-methylphenyl)-3,4-dihydro-2H-chromen-7-ol?

3-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-2H-chromen-7-ol;4-(4-methoxyphenyl)-3-(4-methylphenyl)-3,4-dihydro-2H-chromen-7-ol has a molecular weight of 692.81 g/mol, XLogP of 9.48, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-2H-chromen-7-ol;4-(4-methoxyphenyl)-3-(4-methylphenyl)-3,4-dihydro-2H-chromen-7-ol is sourced from PubChem (CID 158379038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).