2-hydroxy-1-[4-[[2-(2-hydroxy-2-methylpropanoyl)-9-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methyl]-7-[hydroxy(phenyl)methyl]fluoren-9-yl]methyl]phenyl]-2-methylpropan-1-one

C46H46O7 — CID 155365152

IUPAC2-hydroxy-1-[4-[[2-(2-hydroxy-2-methylpropanoyl)-9-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methyl]-7-[hydroxy(phenyl)methyl]fluoren-9-yl]methyl]phenyl]-2-methylpropan-1-one
SMILESCC(C)(O)C(=O)c1ccc(CC2(Cc3ccc(C(=O)C(C)(C)O)cc3)c3cc(C(=O)C(C)(C)O)ccc3-c3ccc(C(O)c4ccccc4)cc32)cc1
InChIInChI=1S/C46H46O7/c1-43(2,51)40(48)31-16-12-28(13-17-31)26-46(27-29-14-18-32(19-15-29)41(49)44(3,4)52)37-24-33(39(47)30-10-8-7-9-11-30)20-22-35(37)36-23-21-34(25-38(36)46)42(50)45(5,6)53/h7-25,39,47,51-53H,26-27H2,1-6H3
InChIKeyWGBYTETWXWORAE-UHFFFAOYSA-N
MW710.87 g/mol
LogP7.38
Rot. Bonds12

About 2-hydroxy-1-[4-[[2-(2-hydroxy-2-methylpropanoyl)-9-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methyl]-7-[hydroxy(phenyl)methyl]fluoren-9-yl]methyl]phenyl]-2-methylpropan-1-one

2-hydroxy-1-[4-[[2-(2-hydroxy-2-methylpropanoyl)-9-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methyl]-7-[hydroxy(phenyl)methyl]fluoren-9-yl]methyl]phenyl]-2-methylpropan-1-one (PubChem CID 155365152) has the molecular formula C46H46O7 and a molecular weight of 710.87 g/mol. Its IUPAC name is 2-hydroxy-1-[4-[[2-(2-hydroxy-2-methylpropanoyl)-9-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methyl]-7-[hydroxy(phenyl)methyl]fluoren-9-yl]methyl]phenyl]-2-methylpropan-1-one.

Molecular Properties

Compound Name2-hydroxy-1-[4-[[2-(2-hydroxy-2-methylpropanoyl)-9-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methyl]-7-[hydroxy(phenyl)methyl]fluoren-9-yl]methyl]phenyl]-2-methylpropan-1-one
PubChem CID155365152
Molecular FormulaC46H46O7
Molecular Weight710.87 g/mol
Exact Mass710.32
IUPAC Name2-hydroxy-1-[4-[[2-(2-hydroxy-2-methylpropanoyl)-9-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methyl]-7-[hydroxy(phenyl)methyl]fluoren-9-yl]methyl]phenyl]-2-methylpropan-1-one
SMILESCC(C)(O)C(=O)c1ccc(CC2(Cc3ccc(C(=O)C(C)(C)O)cc3)c3cc(C(=O)C(C)(C)O)ccc3-c3ccc(C(O)c4ccccc4)cc32)cc1
InChIInChI=1S/C46H46O7/c1-43(2,51)40(48)31-16-12-28(13-17-31)26-46(27-29-14-18-32(19-15-29)41(49)44(3,4)52)37-24-33(39(47)30-10-8-7-9-11-30)20-22-35(37)36-23-21-34(25-38(36)46)42(50)45(5,6)53/h7-25,39,47,51-53H,26-27H2,1-6H3
InChIKeyWGBYTETWXWORAE-UHFFFAOYSA-N
XLogP7.38
TPSA132.13 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500710.87
LogP ≤ 57.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 2-hydroxy-1-[4-[[2-(2-hydroxy-2-methylpropanoyl)-9-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methyl]-7-[hydroxy(phenyl)methyl]fluoren-9-yl]methyl]phenyl]-2-methylpropan-1-one with MolForge

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Related Compounds

2-hydroxy-1-[4-[hydroxy-[4-(2-hydroxy-2-methylpropanoyl)phenyl]methyl]phenyl]-2-methylpropan-1-one;propane
CID 142964351
2-hydroxy-2-methyl-1-[4-[methylamino(phenyl)methyl]phenyl]propan-1-one
CID 68740587
[[4-(2-hydroxy-2-methylpropanoyl)phenyl]-phenylmethyl] hypoiodite
CID 143790931
2-hydroxy-1-[4-[1-[4-(2-hydroxy-2-methylpropanoyl)phenyl]propyl]phenyl]-2-methylpropan-1-one
CID 173118235
2-hydroxy-1-[4-(1-hydroxyethyl)phenyl]-2-methylpropan-1-one
CID 66718665
2-ethyl-1-[4-[[9-[[4-(2-ethyl-2-hydroxybutanoyl)phenyl]methyl]-2-(pyridine-3-carbonyl)fluoren-9-yl]methyl]phenyl]-2-hydroxybutan-1-one
CID 155365050
2-hydroxy-2-methyl-1-phenylpropan-1-one;sulfane
CID 70599278
1-[9,9-bis[[4-[2-(diethylamino)-2-methylpropanoyl]-3-methylphenyl]methyl]fluoren-2-yl]-2-(diethylamino)-2-methylpropan-1-one
CID 155365049
3-hydroxy-1-[4-(2-hydroxy-2-methylpropanoyl)phenyl]-3-methyl-4-phenylbutan-2-one
CID 175704977
2-hydroxy-1-[4-[[4-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]-2-methylpropan-1-one
CID 68738644
1-(9,10-dihydroanthracen-2-yl)-2-hydroxy-2-methylpropan-1-one
CID 177311615
1-[3-[hydroxy(phenyl)methyl]phenyl]ethanone
CID 58616042

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-[4-[[2-(2-hydroxy-2-methylpropanoyl)-9-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methyl]-7-[hydroxy(phenyl)methyl]fluoren-9-yl]methyl]phenyl]-2-methylpropan-1-one?
The IUPAC name of 2-hydroxy-1-[4-[[2-(2-hydroxy-2-methylpropanoyl)-9-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methyl]-7-[hydroxy(phenyl)methyl]fluoren-9-yl]methyl]phenyl]-2-methylpropan-1-one (CID 155365152) is 2-hydroxy-1-[4-[[2-(2-hydroxy-2-methylpropanoyl)-9-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methyl]-7-[hydroxy(phenyl)methyl]fluoren-9-yl]methyl]phenyl]-2-methylpropan-1-one.
What is the SMILES notation for 2-hydroxy-1-[4-[[2-(2-hydroxy-2-methylpropanoyl)-9-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methyl]-7-[hydroxy(phenyl)methyl]fluoren-9-yl]methyl]phenyl]-2-methylpropan-1-one?
The canonical SMILES for 2-hydroxy-1-[4-[[2-(2-hydroxy-2-methylpropanoyl)-9-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methyl]-7-[hydroxy(phenyl)methyl]fluoren-9-yl]methyl]phenyl]-2-methylpropan-1-one is CC(C)(O)C(=O)c1ccc(CC2(Cc3ccc(C(=O)C(C)(C)O)cc3)c3cc(C(=O)C(C)(C)O)ccc3-c3ccc(C(O)c4ccccc4)cc32)cc1.
What is the InChIKey of 2-hydroxy-1-[4-[[2-(2-hydroxy-2-methylpropanoyl)-9-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methyl]-7-[hydroxy(phenyl)methyl]fluoren-9-yl]methyl]phenyl]-2-methylpropan-1-one?
The InChIKey is WGBYTETWXWORAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H46O7/c1-43(2,51)40(48)31-16-12-28(13-17-31)26-46(27-29-14-18-32(19-15-29)41(49)44(3,4)52)37-24-33(39(47)30-10-8-7-9-11-30)20-22-35(37)36-23-21-34(25-38(36)46)42(50)45(5,6)53/h7-25,39,47,51-53H,26-27H2,1-6H3.
What are the key properties of 2-hydroxy-1-[4-[[2-(2-hydroxy-2-methylpropanoyl)-9-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methyl]-7-[hydroxy(phenyl)methyl]fluoren-9-yl]methyl]phenyl]-2-methylpropan-1-one?
2-hydroxy-1-[4-[[2-(2-hydroxy-2-methylpropanoyl)-9-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methyl]-7-[hydroxy(phenyl)methyl]fluoren-9-yl]methyl]phenyl]-2-methylpropan-1-one has a molecular weight of 710.87 g/mol, XLogP of 7.38, 12 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-[4-[[2-(2-hydroxy-2-methylpropanoyl)-9-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methyl]-7-[hydroxy(phenyl)methyl]fluoren-9-yl]methyl]phenyl]-2-methylpropan-1-one is sourced from PubChem (CID 155365152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).