2-hydroxy-2-methyl-1-[2,3,4-tris[(4-ethenylphenyl)methoxy]phenyl]propan-1-one

C37H36O5 — CID 135364367

IUPAC2-hydroxy-2-methyl-1-[2,3,4-tris[(4-ethenylphenyl)methoxy]phenyl]propan-1-one
SMILESC=Cc1ccc(COc2ccc(C(=O)C(C)(C)O)c(OCc3ccc(C=C)cc3)c2OCc2ccc(C=C)cc2)cc1
InChIInChI=1S/C37H36O5/c1-6-26-9-15-29(16-10-26)23-40-33-22-21-32(36(38)37(4,5)39)34(41-24-30-17-11-27(7-2)12-18-30)35(33)42-25-31-19-13-28(8-3)14-20-31/h6-22,39H,1-3,23-25H2,4-5H3
InChIKeyLARHMJSGWJEESB-UHFFFAOYSA-N
MW560.69 g/mol
LogP8.31
Rot. Bonds14

About 2-hydroxy-2-methyl-1-[2,3,4-tris[(4-ethenylphenyl)methoxy]phenyl]propan-1-one

2-hydroxy-2-methyl-1-[2,3,4-tris[(4-ethenylphenyl)methoxy]phenyl]propan-1-one (PubChem CID 135364367) has the molecular formula C37H36O5 and a molecular weight of 560.69 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-1-[2,3,4-tris[(4-ethenylphenyl)methoxy]phenyl]propan-1-one.

Molecular Properties

Compound Name2-hydroxy-2-methyl-1-[2,3,4-tris[(4-ethenylphenyl)methoxy]phenyl]propan-1-one
PubChem CID135364367
Molecular FormulaC37H36O5
Molecular Weight560.69 g/mol
Exact Mass560.26
IUPAC Name2-hydroxy-2-methyl-1-[2,3,4-tris[(4-ethenylphenyl)methoxy]phenyl]propan-1-one
SMILESC=Cc1ccc(COc2ccc(C(=O)C(C)(C)O)c(OCc3ccc(C=C)cc3)c2OCc2ccc(C=C)cc2)cc1
InChIInChI=1S/C37H36O5/c1-6-26-9-15-29(16-10-26)23-40-33-22-21-32(36(38)37(4,5)39)34(41-24-30-17-11-27(7-2)12-18-30)35(33)42-25-31-19-13-28(8-3)14-20-31/h6-22,39H,1-3,23-25H2,4-5H3
InChIKeyLARHMJSGWJEESB-UHFFFAOYSA-N
XLogP8.31
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.69
LogP ≤ 58.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-ethenylphenyl)methoxy]-2,3,5,6-tetrafluorophenol
CID 140941316
2-[(4-ethenylphenyl)methoxy]-6-hydroxy-4-methylbenzoic acid
CID 89216840
1,2,3,4,5-pentachloro-6-[(4-ethenylphenyl)methoxy]benzene
CID 14232060
(4-ethenylphenyl)methyl 2,2-dimethylbutanoate
CID 20764938
ethyl 3-[7-[(4-ethenylphenyl)methoxy]-4,8-dimethyl-2-oxochromen-3-yl]propanoate
CID 1296102
7-[(4-ethenylphenyl)methoxy]-4-ethyl-8-methylchromen-2-one
CID 883551
(4-ethenylphenyl)methyl 3,4,5-tris[(4-tetradecoxyphenyl)methoxy]benzoate
CID 100914145
4,5,6-tris[(4-ethenylphenyl)methoxy]triazine
CID 171473025
(4-ethenylphenyl)methyl 2-methylprop-2-enoate
CID 14794067
3-[(4-ethenylphenyl)methoxy]benzoic acid
CID 168678013
4-[(4-ethenylphenyl)methoxy]-2,3,5,6-tetrafluorobenzenesulfonate
CID 59554726
bis[(4-ethenylphenyl)methyl] 2,5-diacetylbenzene-1,4-dicarboxylate
CID 164789063

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-1-[2,3,4-tris[(4-ethenylphenyl)methoxy]phenyl]propan-1-one?
The IUPAC name of 2-hydroxy-2-methyl-1-[2,3,4-tris[(4-ethenylphenyl)methoxy]phenyl]propan-1-one (CID 135364367) is 2-hydroxy-2-methyl-1-[2,3,4-tris[(4-ethenylphenyl)methoxy]phenyl]propan-1-one.
What is the SMILES notation for 2-hydroxy-2-methyl-1-[2,3,4-tris[(4-ethenylphenyl)methoxy]phenyl]propan-1-one?
The canonical SMILES for 2-hydroxy-2-methyl-1-[2,3,4-tris[(4-ethenylphenyl)methoxy]phenyl]propan-1-one is C=Cc1ccc(COc2ccc(C(=O)C(C)(C)O)c(OCc3ccc(C=C)cc3)c2OCc2ccc(C=C)cc2)cc1.
What is the InChIKey of 2-hydroxy-2-methyl-1-[2,3,4-tris[(4-ethenylphenyl)methoxy]phenyl]propan-1-one?
The InChIKey is LARHMJSGWJEESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H36O5/c1-6-26-9-15-29(16-10-26)23-40-33-22-21-32(36(38)37(4,5)39)34(41-24-30-17-11-27(7-2)12-18-30)35(33)42-25-31-19-13-28(8-3)14-20-31/h6-22,39H,1-3,23-25H2,4-5H3.
What are the key properties of 2-hydroxy-2-methyl-1-[2,3,4-tris[(4-ethenylphenyl)methoxy]phenyl]propan-1-one?
2-hydroxy-2-methyl-1-[2,3,4-tris[(4-ethenylphenyl)methoxy]phenyl]propan-1-one has a molecular weight of 560.69 g/mol, XLogP of 8.31, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-1-[2,3,4-tris[(4-ethenylphenyl)methoxy]phenyl]propan-1-one is sourced from PubChem (CID 135364367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).