bis[3-hydroxy-2-(4-hydroxyphenyl)phenyl]methanone

C25H18O5 — CID 54463161

IUPACbis[3-hydroxy-2-(4-hydroxyphenyl)phenyl]methanone
SMILESO=C(c1cccc(O)c1-c1ccc(O)cc1)c1cccc(O)c1-c1ccc(O)cc1
InChIInChI=1S/C25H18O5/c26-17-11-7-15(8-12-17)23-19(3-1-5-21(23)28)25(30)20-4-2-6-22(29)24(20)16-9-13-18(27)14-10-16/h1-14,26-29H
InChIKeyXDAHMVMKXHZSDQ-UHFFFAOYSA-N
MW398.41 g/mol
LogP5.07
Rot. Bonds4

About bis[3-hydroxy-2-(4-hydroxyphenyl)phenyl]methanone

bis[3-hydroxy-2-(4-hydroxyphenyl)phenyl]methanone (PubChem CID 54463161) has the molecular formula C25H18O5 and a molecular weight of 398.41 g/mol. Its IUPAC name is bis[3-hydroxy-2-(4-hydroxyphenyl)phenyl]methanone.

Molecular Properties

Compound Namebis[3-hydroxy-2-(4-hydroxyphenyl)phenyl]methanone
PubChem CID54463161
Molecular FormulaC25H18O5
Molecular Weight398.41 g/mol
Exact Mass398.12
IUPAC Namebis[3-hydroxy-2-(4-hydroxyphenyl)phenyl]methanone
SMILESO=C(c1cccc(O)c1-c1ccc(O)cc1)c1cccc(O)c1-c1ccc(O)cc1
InChIInChI=1S/C25H18O5/c26-17-11-7-15(8-12-17)23-19(3-1-5-21(23)28)25(30)20-4-2-6-22(29)24(20)16-9-13-18(27)14-10-16/h1-14,26-29H
InChIKeyXDAHMVMKXHZSDQ-UHFFFAOYSA-N
XLogP5.07
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.41
LogP ≤ 55.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of bis[3-hydroxy-2-(4-hydroxyphenyl)phenyl]methanone?
The IUPAC name of bis[3-hydroxy-2-(4-hydroxyphenyl)phenyl]methanone (CID 54463161) is bis[3-hydroxy-2-(4-hydroxyphenyl)phenyl]methanone.
What is the SMILES notation for bis[3-hydroxy-2-(4-hydroxyphenyl)phenyl]methanone?
The canonical SMILES for bis[3-hydroxy-2-(4-hydroxyphenyl)phenyl]methanone is O=C(c1cccc(O)c1-c1ccc(O)cc1)c1cccc(O)c1-c1ccc(O)cc1.
What is the InChIKey of bis[3-hydroxy-2-(4-hydroxyphenyl)phenyl]methanone?
The InChIKey is XDAHMVMKXHZSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18O5/c26-17-11-7-15(8-12-17)23-19(3-1-5-21(23)28)25(30)20-4-2-6-22(29)24(20)16-9-13-18(27)14-10-16/h1-14,26-29H.
What are the key properties of bis[3-hydroxy-2-(4-hydroxyphenyl)phenyl]methanone?
bis[3-hydroxy-2-(4-hydroxyphenyl)phenyl]methanone has a molecular weight of 398.41 g/mol, XLogP of 5.07, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis[3-hydroxy-2-(4-hydroxyphenyl)phenyl]methanone is sourced from PubChem (CID 54463161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).