7-hydroxy-2-[3-(4-hydroxyphenyl)propyl]-3-[(4-phenylphenyl)methyl]chromen-4-one

C31H26O4 — CID 44572773

IUPAC7-hydroxy-2-[3-(4-hydroxyphenyl)propyl]-3-[(4-phenylphenyl)methyl]chromen-4-one
SMILESO=c1c(Cc2ccc(-c3ccccc3)cc2)c(CCCc2ccc(O)cc2)oc2cc(O)ccc12
InChIInChI=1S/C31H26O4/c32-25-15-11-21(12-16-25)5-4-8-29-28(31(34)27-18-17-26(33)20-30(27)35-29)19-22-9-13-24(14-10-22)23-6-2-1-3-7-23/h1-3,6-7,9-18,20,32-33H,4-5,8,19H2
InChIKeyDDTGEGAYIBYBIY-UHFFFAOYSA-N
MW462.55 g/mol
LogP6.64
Rot. Bonds7

About 7-hydroxy-2-[3-(4-hydroxyphenyl)propyl]-3-[(4-phenylphenyl)methyl]chromen-4-one

7-hydroxy-2-[3-(4-hydroxyphenyl)propyl]-3-[(4-phenylphenyl)methyl]chromen-4-one (PubChem CID 44572773) has the molecular formula C31H26O4 and a molecular weight of 462.55 g/mol. Its IUPAC name is 7-hydroxy-2-[3-(4-hydroxyphenyl)propyl]-3-[(4-phenylphenyl)methyl]chromen-4-one.

Molecular Properties

Compound Name7-hydroxy-2-[3-(4-hydroxyphenyl)propyl]-3-[(4-phenylphenyl)methyl]chromen-4-one
PubChem CID44572773
Molecular FormulaC31H26O4
Molecular Weight462.55 g/mol
Exact Mass462.18
IUPAC Name7-hydroxy-2-[3-(4-hydroxyphenyl)propyl]-3-[(4-phenylphenyl)methyl]chromen-4-one
SMILESO=c1c(Cc2ccc(-c3ccccc3)cc2)c(CCCc2ccc(O)cc2)oc2cc(O)ccc12
InChIInChI=1S/C31H26O4/c32-25-15-11-21(12-16-25)5-4-8-29-28(31(34)27-18-17-26(33)20-30(27)35-29)19-22-9-13-24(14-10-22)23-6-2-1-3-7-23/h1-3,6-7,9-18,20,32-33H,4-5,8,19H2
InChIKeyDDTGEGAYIBYBIY-UHFFFAOYSA-N
XLogP6.64
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.55
LogP ≤ 56.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-2-[3-(4-hydroxyphenyl)propyl]-3-[(4-phenylphenyl)methyl]chromen-4-one?
The IUPAC name of 7-hydroxy-2-[3-(4-hydroxyphenyl)propyl]-3-[(4-phenylphenyl)methyl]chromen-4-one (CID 44572773) is 7-hydroxy-2-[3-(4-hydroxyphenyl)propyl]-3-[(4-phenylphenyl)methyl]chromen-4-one.
What is the SMILES notation for 7-hydroxy-2-[3-(4-hydroxyphenyl)propyl]-3-[(4-phenylphenyl)methyl]chromen-4-one?
The canonical SMILES for 7-hydroxy-2-[3-(4-hydroxyphenyl)propyl]-3-[(4-phenylphenyl)methyl]chromen-4-one is O=c1c(Cc2ccc(-c3ccccc3)cc2)c(CCCc2ccc(O)cc2)oc2cc(O)ccc12.
What is the InChIKey of 7-hydroxy-2-[3-(4-hydroxyphenyl)propyl]-3-[(4-phenylphenyl)methyl]chromen-4-one?
The InChIKey is DDTGEGAYIBYBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26O4/c32-25-15-11-21(12-16-25)5-4-8-29-28(31(34)27-18-17-26(33)20-30(27)35-29)19-22-9-13-24(14-10-22)23-6-2-1-3-7-23/h1-3,6-7,9-18,20,32-33H,4-5,8,19H2.
What are the key properties of 7-hydroxy-2-[3-(4-hydroxyphenyl)propyl]-3-[(4-phenylphenyl)methyl]chromen-4-one?
7-hydroxy-2-[3-(4-hydroxyphenyl)propyl]-3-[(4-phenylphenyl)methyl]chromen-4-one has a molecular weight of 462.55 g/mol, XLogP of 6.64, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-2-[3-(4-hydroxyphenyl)propyl]-3-[(4-phenylphenyl)methyl]chromen-4-one is sourced from PubChem (CID 44572773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).