formaldehyde;bis((2-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone);bis((2-hydroxy-4-methoxyphenyl)-phenylmethanone)

C57H50O15 — CID 158936805

About formaldehyde;bis((2-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone);bis((2-hydroxy-4-methoxyphenyl)-phenylmethanone)

formaldehyde;bis((2-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone);bis((2-hydroxy-4-methoxyphenyl)-phenylmethanone) (PubChem CID 158936805) has the molecular formula C57H50O15 and a molecular weight of 975.01 g/mol. Its IUPAC name is formaldehyde;bis((2-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone);bis((2-hydroxy-4-methoxyphenyl)-phenylmethanone).

Molecular Properties

• Compound Name: formaldehyde;bis((2-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone);bis((2-hydroxy-4-methoxyphenyl)-phenylmethanone)
• PubChem CID: 158936805
• Molecular Formula: C57H50O15
• Molecular Weight: 975.01 g/mol
• Exact Mass: 974.31
• IUPAC Name: formaldehyde;bis((2-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone);bis((2-hydroxy-4-methoxyphenyl)-phenylmethanone)
• SMILES: C=O.COc1ccc(C(=O)c2ccccc2)c(O)c1.COc1ccc(C(=O)c2ccccc2)c(O)c1.COc1ccc(C(=O)c2ccccc2O)c(O)c1.COc1ccc(C(=O)c2ccccc2O)c(O)c1
• InChI: InChI=1S/2C14H12O4.2C14H12O3.CH2O/c2*1-18-9-6-7-11(13(16)8-9)14(17)10-4-2-3-5-12(10)15;2*1-17-11-7-8-12(13(15)9-11)14(16)10-5-3-2-4-6-10;1-2/h2*2-8,15-16H,1H3;2*2-9,15H,1H3;1H2
• InChIKey: JJTDCYITQBUQNZ-UHFFFAOYSA-N
• XLogP: 9.75
• TPSA: 243.65 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 15
• Rotatable Bonds: 12
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	975.01
LogP ≤ 5	9.75
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of formaldehyde;bis((2-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone);bis((2-hydroxy-4-methoxyphenyl)-phenylmethanone)?

The IUPAC name of formaldehyde;bis((2-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone);bis((2-hydroxy-4-methoxyphenyl)-phenylmethanone) (CID 158936805) is formaldehyde;bis((2-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone);bis((2-hydroxy-4-methoxyphenyl)-phenylmethanone).

What is the SMILES notation for formaldehyde;bis((2-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone);bis((2-hydroxy-4-methoxyphenyl)-phenylmethanone)?

The canonical SMILES for formaldehyde;bis((2-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone);bis((2-hydroxy-4-methoxyphenyl)-phenylmethanone) is C=O.COc1ccc(C(=O)c2ccccc2)c(O)c1.COc1ccc(C(=O)c2ccccc2)c(O)c1.COc1ccc(C(=O)c2ccccc2O)c(O)c1.COc1ccc(C(=O)c2ccccc2O)c(O)c1.

What is the InChIKey of formaldehyde;bis((2-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone);bis((2-hydroxy-4-methoxyphenyl)-phenylmethanone)?

The InChIKey is JJTDCYITQBUQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H12O4.2C14H12O3.CH2O/c2*1-18-9-6-7-11(13(16)8-9)14(17)10-4-2-3-5-12(10)15;2*1-17-11-7-8-12(13(15)9-11)14(16)10-5-3-2-4-6-10;1-2/h2*2-8,15-16H,1H3;2*2-9,15H,1H3;1H2.

What are the key properties of formaldehyde;bis((2-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone);bis((2-hydroxy-4-methoxyphenyl)-phenylmethanone)?

formaldehyde;bis((2-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone);bis((2-hydroxy-4-methoxyphenyl)-phenylmethanone) has a molecular weight of 975.01 g/mol, XLogP of 9.75, 12 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for formaldehyde;bis((2-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone);bis((2-hydroxy-4-methoxyphenyl)-phenylmethanone) is sourced from PubChem (CID 158936805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).