(4R,5R)-4-(4-methylphenyl)-5-phenyl-1,3-dioxolan-2-one

C16H14O3 — CID 177461861

IUPAC(4R,5R)-4-(4-methylphenyl)-5-phenyl-1,3-dioxolan-2-one
SMILESCc1ccc([C@H]2OC(=O)O[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C16H14O3/c1-11-7-9-13(10-8-11)15-14(18-16(17)19-15)12-5-3-2-4-6-12/h2-10,14-15H,1H3/t14-,15-/m1/s1
InChIKeyWOLJDYMDBHOARO-HUUCEWRRSA-N
MW254.28 g/mol
LogP3.94
Rot. Bonds2

About (4R,5R)-4-(4-methylphenyl)-5-phenyl-1,3-dioxolan-2-one

(4R,5R)-4-(4-methylphenyl)-5-phenyl-1,3-dioxolan-2-one (PubChem CID 177461861) has the molecular formula C16H14O3 and a molecular weight of 254.28 g/mol. Its IUPAC name is (4R,5R)-4-(4-methylphenyl)-5-phenyl-1,3-dioxolan-2-one.

Molecular Properties

Compound Name(4R,5R)-4-(4-methylphenyl)-5-phenyl-1,3-dioxolan-2-one
PubChem CID177461861
Molecular FormulaC16H14O3
Molecular Weight254.28 g/mol
Exact Mass254.09
IUPAC Name(4R,5R)-4-(4-methylphenyl)-5-phenyl-1,3-dioxolan-2-one
SMILESCc1ccc([C@H]2OC(=O)O[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C16H14O3/c1-11-7-9-13(10-8-11)15-14(18-16(17)19-15)12-5-3-2-4-6-12/h2-10,14-15H,1H3/t14-,15-/m1/s1
InChIKeyWOLJDYMDBHOARO-HUUCEWRRSA-N
XLogP3.94
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4-(4-methylphenyl)-5-phenyl-1,3-dioxolan-2-one?
The IUPAC name of (4R,5R)-4-(4-methylphenyl)-5-phenyl-1,3-dioxolan-2-one (CID 177461861) is (4R,5R)-4-(4-methylphenyl)-5-phenyl-1,3-dioxolan-2-one.
What is the SMILES notation for (4R,5R)-4-(4-methylphenyl)-5-phenyl-1,3-dioxolan-2-one?
The canonical SMILES for (4R,5R)-4-(4-methylphenyl)-5-phenyl-1,3-dioxolan-2-one is Cc1ccc([C@H]2OC(=O)O[C@@H]2c2ccccc2)cc1.
What is the InChIKey of (4R,5R)-4-(4-methylphenyl)-5-phenyl-1,3-dioxolan-2-one?
The InChIKey is WOLJDYMDBHOARO-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H14O3/c1-11-7-9-13(10-8-11)15-14(18-16(17)19-15)12-5-3-2-4-6-12/h2-10,14-15H,1H3/t14-,15-/m1/s1.
What are the key properties of (4R,5R)-4-(4-methylphenyl)-5-phenyl-1,3-dioxolan-2-one?
(4R,5R)-4-(4-methylphenyl)-5-phenyl-1,3-dioxolan-2-one has a molecular weight of 254.28 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4-(4-methylphenyl)-5-phenyl-1,3-dioxolan-2-one is sourced from PubChem (CID 177461861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).