[(1R,3R)-3-hydroxy-2,2-dimethyl-1,3-diphenylpropyl] benzoate

C24H24O3 — CID 15182984

IUPAC[(1R,3R)-3-hydroxy-2,2-dimethyl-1,3-diphenylpropyl] benzoate
SMILESCC(C)([C@H](O)c1ccccc1)[C@H](OC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H24O3/c1-24(2,21(25)18-12-6-3-7-13-18)22(19-14-8-4-9-15-19)27-23(26)20-16-10-5-11-17-20/h3-17,21-22,25H,1-2H3/t21-,22-/m1/s1
InChIKeyPRROBJHWUBHHTK-FGZHOGPDSA-N
MW360.45 g/mol
LogP5.34
Rot. Bonds6

About [(1R,3R)-3-hydroxy-2,2-dimethyl-1,3-diphenylpropyl] benzoate

[(1R,3R)-3-hydroxy-2,2-dimethyl-1,3-diphenylpropyl] benzoate (PubChem CID 15182984) has the molecular formula C24H24O3 and a molecular weight of 360.45 g/mol. Its IUPAC name is [(1R,3R)-3-hydroxy-2,2-dimethyl-1,3-diphenylpropyl] benzoate.

Molecular Properties

Compound Name[(1R,3R)-3-hydroxy-2,2-dimethyl-1,3-diphenylpropyl] benzoate
PubChem CID15182984
Molecular FormulaC24H24O3
Molecular Weight360.45 g/mol
Exact Mass360.17
IUPAC Name[(1R,3R)-3-hydroxy-2,2-dimethyl-1,3-diphenylpropyl] benzoate
SMILESCC(C)([C@H](O)c1ccccc1)[C@H](OC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H24O3/c1-24(2,21(25)18-12-6-3-7-13-18)22(19-14-8-4-9-15-19)27-23(26)20-16-10-5-11-17-20/h3-17,21-22,25H,1-2H3/t21-,22-/m1/s1
InChIKeyPRROBJHWUBHHTK-FGZHOGPDSA-N
XLogP5.34
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.45
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[hydroxy(phenyl)methyl] benzoate
CID 22715526
bis(2,2,2-trifluoro-1-phenylethyl) benzene-1,4-dicarboxylate
CID 91741868
(1R,3R)-2,2-dimethyl-1,3-diphenylpropane-1,3-diol
CID 100943216
1-phenylethyl benzoate
CID 174857426
3-methoxy-2,2-dimethyl-1,3-diphenylpropan-1-one
CID 100923277
(3-benzoyloxy-2-methyl-1,3-diphenylpropyl) benzoate
CID 23126014
[1-(4-bromophenyl)-2,2,2-trifluoroethyl] benzoate
CID 131870725
bis(2,2-dimethyl-1-phenylpropyl) carbonate
CID 139502993
[(1R)-2-methoxy-2-oxo-1-phenylethyl] benzoate
CID 11747638
4-[(1S)-1-phenylethoxy]carbonylbenzoic acid
CID 139796001
2,2-dimethyl-1,3-diphenyl-3-trimethylsilyloxypropan-1-one
CID 122206427
1-O-propyl 4-O-(2,2,2-trifluoro-1-phenylethyl) benzene-1,4-dicarboxylate
CID 91730810

Frequently Asked Questions

What is the IUPAC name of [(1R,3R)-3-hydroxy-2,2-dimethyl-1,3-diphenylpropyl] benzoate?
The IUPAC name of [(1R,3R)-3-hydroxy-2,2-dimethyl-1,3-diphenylpropyl] benzoate (CID 15182984) is [(1R,3R)-3-hydroxy-2,2-dimethyl-1,3-diphenylpropyl] benzoate.
What is the SMILES notation for [(1R,3R)-3-hydroxy-2,2-dimethyl-1,3-diphenylpropyl] benzoate?
The canonical SMILES for [(1R,3R)-3-hydroxy-2,2-dimethyl-1,3-diphenylpropyl] benzoate is CC(C)([C@H](O)c1ccccc1)[C@H](OC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of [(1R,3R)-3-hydroxy-2,2-dimethyl-1,3-diphenylpropyl] benzoate?
The InChIKey is PRROBJHWUBHHTK-FGZHOGPDSA-N. The full InChI is InChI=1S/C24H24O3/c1-24(2,21(25)18-12-6-3-7-13-18)22(19-14-8-4-9-15-19)27-23(26)20-16-10-5-11-17-20/h3-17,21-22,25H,1-2H3/t21-,22-/m1/s1.
What are the key properties of [(1R,3R)-3-hydroxy-2,2-dimethyl-1,3-diphenylpropyl] benzoate?
[(1R,3R)-3-hydroxy-2,2-dimethyl-1,3-diphenylpropyl] benzoate has a molecular weight of 360.45 g/mol, XLogP of 5.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3R)-3-hydroxy-2,2-dimethyl-1,3-diphenylpropyl] benzoate is sourced from PubChem (CID 15182984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).