[2-hydroxy-5-(4-hydroxy-2-propan-2-ylbenzoyl)-3,4-dimethylphenyl]-(4-phenoxyphenyl)methanone

C31H28O5 — CID 143192242

IUPAC[2-hydroxy-5-(4-hydroxy-2-propan-2-ylbenzoyl)-3,4-dimethylphenyl]-(4-phenoxyphenyl)methanone
SMILESCc1c(C(=O)c2ccc(O)cc2C(C)C)cc(C(=O)c2ccc(Oc3ccccc3)cc2)c(O)c1C
InChIInChI=1S/C31H28O5/c1-18(2)26-16-22(32)12-15-25(26)31(35)27-17-28(29(33)20(4)19(27)3)30(34)21-10-13-24(14-11-21)36-23-8-6-5-7-9-23/h5-18,32-33H,1-4H3
InChIKeySZDTUPGJMUTVOA-UHFFFAOYSA-N
MW480.56 g/mol
LogP7.09
Rot. Bonds7

About [2-hydroxy-5-(4-hydroxy-2-propan-2-ylbenzoyl)-3,4-dimethylphenyl]-(4-phenoxyphenyl)methanone

[2-hydroxy-5-(4-hydroxy-2-propan-2-ylbenzoyl)-3,4-dimethylphenyl]-(4-phenoxyphenyl)methanone (PubChem CID 143192242) has the molecular formula C31H28O5 and a molecular weight of 480.56 g/mol. Its IUPAC name is [2-hydroxy-5-(4-hydroxy-2-propan-2-ylbenzoyl)-3,4-dimethylphenyl]-(4-phenoxyphenyl)methanone.

Molecular Properties

Compound Name[2-hydroxy-5-(4-hydroxy-2-propan-2-ylbenzoyl)-3,4-dimethylphenyl]-(4-phenoxyphenyl)methanone
PubChem CID143192242
Molecular FormulaC31H28O5
Molecular Weight480.56 g/mol
Exact Mass480.19
IUPAC Name[2-hydroxy-5-(4-hydroxy-2-propan-2-ylbenzoyl)-3,4-dimethylphenyl]-(4-phenoxyphenyl)methanone
SMILESCc1c(C(=O)c2ccc(O)cc2C(C)C)cc(C(=O)c2ccc(Oc3ccccc3)cc2)c(O)c1C
InChIInChI=1S/C31H28O5/c1-18(2)26-16-22(32)12-15-25(26)31(35)27-17-28(29(33)20(4)19(27)3)30(34)21-10-13-24(14-11-21)36-23-8-6-5-7-9-23/h5-18,32-33H,1-4H3
InChIKeySZDTUPGJMUTVOA-UHFFFAOYSA-N
XLogP7.09
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.56
LogP ≤ 57.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(4-phenoxyphenyl)-[2,3,4-trihydroxy-5-(naphthalene-2-carbonyl)phenyl]methanone
CID 58626356
(4-methoxyphenyl)-(2-propan-2-ylphenyl)methanone
CID 23404431
ethane;[4-(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone
CID 142280871
[4-(4-methylphenoxy)phenyl]-(4-phenoxyphenyl)methanone
CID 139804572
1,2-bis(4-hydroxy-2-propan-2-ylphenyl)ethane-1,2-dione
CID 21279175
[3,5-bis(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone
CID 11571089
(2-methyl-4-phenoxyphenyl)-thiophen-2-ylmethanone
CID 82051105
1-[2-hydroxy-4-(4-phenoxyphenoxy)phenyl]ethanone
CID 166874046
[4-[3-(4-benzoyl-3-hydroxyphenoxy)butan-2-yloxy]-2-hydroxyphenyl]-phenylmethanone
CID 158500330
bis(4-methoxy-2-propan-2-ylphenyl)methanone
CID 139968368
ethane;[4-(4-hydroxyphenoxy)phenyl]-(4-methylphenyl)methanone;2-methylpropane
CID 144963303
(2,4-difluorophenyl)-(4-phenoxyphenyl)methanone
CID 146007872

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-5-(4-hydroxy-2-propan-2-ylbenzoyl)-3,4-dimethylphenyl]-(4-phenoxyphenyl)methanone?
The IUPAC name of [2-hydroxy-5-(4-hydroxy-2-propan-2-ylbenzoyl)-3,4-dimethylphenyl]-(4-phenoxyphenyl)methanone (CID 143192242) is [2-hydroxy-5-(4-hydroxy-2-propan-2-ylbenzoyl)-3,4-dimethylphenyl]-(4-phenoxyphenyl)methanone.
What is the SMILES notation for [2-hydroxy-5-(4-hydroxy-2-propan-2-ylbenzoyl)-3,4-dimethylphenyl]-(4-phenoxyphenyl)methanone?
The canonical SMILES for [2-hydroxy-5-(4-hydroxy-2-propan-2-ylbenzoyl)-3,4-dimethylphenyl]-(4-phenoxyphenyl)methanone is Cc1c(C(=O)c2ccc(O)cc2C(C)C)cc(C(=O)c2ccc(Oc3ccccc3)cc2)c(O)c1C.
What is the InChIKey of [2-hydroxy-5-(4-hydroxy-2-propan-2-ylbenzoyl)-3,4-dimethylphenyl]-(4-phenoxyphenyl)methanone?
The InChIKey is SZDTUPGJMUTVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28O5/c1-18(2)26-16-22(32)12-15-25(26)31(35)27-17-28(29(33)20(4)19(27)3)30(34)21-10-13-24(14-11-21)36-23-8-6-5-7-9-23/h5-18,32-33H,1-4H3.
What are the key properties of [2-hydroxy-5-(4-hydroxy-2-propan-2-ylbenzoyl)-3,4-dimethylphenyl]-(4-phenoxyphenyl)methanone?
[2-hydroxy-5-(4-hydroxy-2-propan-2-ylbenzoyl)-3,4-dimethylphenyl]-(4-phenoxyphenyl)methanone has a molecular weight of 480.56 g/mol, XLogP of 7.09, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-5-(4-hydroxy-2-propan-2-ylbenzoyl)-3,4-dimethylphenyl]-(4-phenoxyphenyl)methanone is sourced from PubChem (CID 143192242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).