(2R,3R)-1-phenyl-2,3-bis(phenylmethoxy)pentane-1,4-dione

C25H24O4 — CID 134837602

IUPAC(2R,3R)-1-phenyl-2,3-bis(phenylmethoxy)pentane-1,4-dione
SMILESCC(=O)[C@H](OCc1ccccc1)[C@@H](OCc1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C25H24O4/c1-19(26)24(28-17-20-11-5-2-6-12-20)25(23(27)22-15-9-4-10-16-22)29-18-21-13-7-3-8-14-21/h2-16,24-25H,17-18H2,1H3/t24-,25-/m0/s1
InChIKeyFEHSVBKWMHWRBG-DQEYMECFSA-N
MW388.46 g/mol
LogP4.63
Rot. Bonds10

About (2R,3R)-1-phenyl-2,3-bis(phenylmethoxy)pentane-1,4-dione

(2R,3R)-1-phenyl-2,3-bis(phenylmethoxy)pentane-1,4-dione (PubChem CID 134837602) has the molecular formula C25H24O4 and a molecular weight of 388.46 g/mol. Its IUPAC name is (2R,3R)-1-phenyl-2,3-bis(phenylmethoxy)pentane-1,4-dione.

Molecular Properties

Compound Name(2R,3R)-1-phenyl-2,3-bis(phenylmethoxy)pentane-1,4-dione
PubChem CID134837602
Molecular FormulaC25H24O4
Molecular Weight388.46 g/mol
Exact Mass388.17
IUPAC Name(2R,3R)-1-phenyl-2,3-bis(phenylmethoxy)pentane-1,4-dione
SMILESCC(=O)[C@H](OCc1ccccc1)[C@@H](OCc1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C25H24O4/c1-19(26)24(28-17-20-11-5-2-6-12-20)25(23(27)22-15-9-4-10-16-22)29-18-21-13-7-3-8-14-21/h2-16,24-25H,17-18H2,1H3/t24-,25-/m0/s1
InChIKeyFEHSVBKWMHWRBG-DQEYMECFSA-N
XLogP4.63
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-Dimethoxy-2-phenylacetophenone
CID 90571
Glyceryl tribenzoate
CID 61156
1,1'-Oxybis-2-propanol dibenzoate
CID 101560
Propylene glycol dibenzoate
CID 517637
Chalcone epoxide
CID 92219
Benzoin ethyl ether
CID 101778
Methyl Benzoin
CID 98097
Diphenylmethyl benzoate
CID 280558
Ethanone, 2-(1-methylethoxy)-1,2-diphenyl-
CID 110912
2-(2-(Benzoyloxy)propoxy)-1-propanol 1-benzoate
CID 89272
4-Fluorochalcone oxide
CID 162531
Benzoin acetate
CID 95416

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-1-phenyl-2,3-bis(phenylmethoxy)pentane-1,4-dione?
The IUPAC name of (2R,3R)-1-phenyl-2,3-bis(phenylmethoxy)pentane-1,4-dione (CID 134837602) is (2R,3R)-1-phenyl-2,3-bis(phenylmethoxy)pentane-1,4-dione.
What is the SMILES notation for (2R,3R)-1-phenyl-2,3-bis(phenylmethoxy)pentane-1,4-dione?
The canonical SMILES for (2R,3R)-1-phenyl-2,3-bis(phenylmethoxy)pentane-1,4-dione is CC(=O)[C@H](OCc1ccccc1)[C@@H](OCc1ccccc1)C(=O)c1ccccc1.
What is the InChIKey of (2R,3R)-1-phenyl-2,3-bis(phenylmethoxy)pentane-1,4-dione?
The InChIKey is FEHSVBKWMHWRBG-DQEYMECFSA-N. The full InChI is InChI=1S/C25H24O4/c1-19(26)24(28-17-20-11-5-2-6-12-20)25(23(27)22-15-9-4-10-16-22)29-18-21-13-7-3-8-14-21/h2-16,24-25H,17-18H2,1H3/t24-,25-/m0/s1.
What are the key properties of (2R,3R)-1-phenyl-2,3-bis(phenylmethoxy)pentane-1,4-dione?
(2R,3R)-1-phenyl-2,3-bis(phenylmethoxy)pentane-1,4-dione has a molecular weight of 388.46 g/mol, XLogP of 4.63, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-1-phenyl-2,3-bis(phenylmethoxy)pentane-1,4-dione is sourced from PubChem (CID 134837602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).