3,5-bis(4-hydroxyphenyl)-2-phenylchromen-4-one

C27H18O4 — CID 161104453

IUPAC3,5-bis(4-hydroxyphenyl)-2-phenylchromen-4-one
SMILESO=c1c(-c2ccc(O)cc2)c(-c2ccccc2)oc2cccc(-c3ccc(O)cc3)c12
InChIInChI=1S/C27H18O4/c28-20-13-9-17(10-14-20)22-7-4-8-23-25(22)26(30)24(18-11-15-21(29)16-12-18)27(31-23)19-5-2-1-3-6-19/h1-16,28-29H
InChIKeyUIWAMFULABSPQX-UHFFFAOYSA-N
MW406.44 g/mol
LogP6.21
Rot. Bonds3

About 3,5-bis(4-hydroxyphenyl)-2-phenylchromen-4-one

3,5-bis(4-hydroxyphenyl)-2-phenylchromen-4-one (PubChem CID 161104453) has the molecular formula C27H18O4 and a molecular weight of 406.44 g/mol. Its IUPAC name is 3,5-bis(4-hydroxyphenyl)-2-phenylchromen-4-one.

Molecular Properties

Compound Name3,5-bis(4-hydroxyphenyl)-2-phenylchromen-4-one
PubChem CID161104453
Molecular FormulaC27H18O4
Molecular Weight406.44 g/mol
Exact Mass406.12
IUPAC Name3,5-bis(4-hydroxyphenyl)-2-phenylchromen-4-one
SMILESO=c1c(-c2ccc(O)cc2)c(-c2ccccc2)oc2cccc(-c3ccc(O)cc3)c12
InChIInChI=1S/C27H18O4/c28-20-13-9-17(10-14-20)22-7-4-8-23-25(22)26(30)24(18-11-15-21(29)16-12-18)27(31-23)19-5-2-1-3-6-19/h1-16,28-29H
InChIKeyUIWAMFULABSPQX-UHFFFAOYSA-N
XLogP6.21
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.44
LogP ≤ 56.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3,5-bis(4-hydroxyphenyl)-2-phenylchromen-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-(4-hydroxyphenyl)-1-benzofuran-3-yl]phenol
CID 139612412
3,5-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
CID 5393154
4-(9,10-diphenylanthracen-1-yl)phenol
CID 150494593
3-(4-hydroxyphenyl)-2-(4-methylsulfonylphenyl)chromen-4-one
CID 18324893
3-(4-hydroxyphenyl)-4-methyl-2,9-diphenylfuro[2,3-f]chromen-7-one
CID 14916297
5-hydroxy-2-(4-hydroxyphenyl)-3-methoxychromen-4-one
CID 14269668
2-(4-hydroxyphenyl)-3-methylchromen-4-one
CID 11579699
3,6,7-trihydroxy-2,5-diphenylchromen-4-one
CID 143758219
2,3-diphenyl-1-benzofuran;2-hydroxyacetic acid
CID 70599531
2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3-phenyl-1-benzofuran
CID 121336223
3-hydroxy-2-phenylchromen-4-one;iron
CID 161072875
1-(4-chlorophenyl)xanthen-9-one
CID 168812432

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(4-hydroxyphenyl)-2-phenylchromen-4-one?
The IUPAC name of 3,5-bis(4-hydroxyphenyl)-2-phenylchromen-4-one (CID 161104453) is 3,5-bis(4-hydroxyphenyl)-2-phenylchromen-4-one.
What is the SMILES notation for 3,5-bis(4-hydroxyphenyl)-2-phenylchromen-4-one?
The canonical SMILES for 3,5-bis(4-hydroxyphenyl)-2-phenylchromen-4-one is O=c1c(-c2ccc(O)cc2)c(-c2ccccc2)oc2cccc(-c3ccc(O)cc3)c12.
What is the InChIKey of 3,5-bis(4-hydroxyphenyl)-2-phenylchromen-4-one?
The InChIKey is UIWAMFULABSPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18O4/c28-20-13-9-17(10-14-20)22-7-4-8-23-25(22)26(30)24(18-11-15-21(29)16-12-18)27(31-23)19-5-2-1-3-6-19/h1-16,28-29H.
What are the key properties of 3,5-bis(4-hydroxyphenyl)-2-phenylchromen-4-one?
3,5-bis(4-hydroxyphenyl)-2-phenylchromen-4-one has a molecular weight of 406.44 g/mol, XLogP of 6.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(4-hydroxyphenyl)-2-phenylchromen-4-one is sourced from PubChem (CID 161104453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).