[(2R,4R)-2-benzyl-2,4-dimethyl-1,3-dioxolan-4-yl]-phenylmethanone

C19H20O3 — CID 54564674

IUPAC[(2R,4R)-2-benzyl-2,4-dimethyl-1,3-dioxolan-4-yl]-phenylmethanone
SMILESC[C@@]1(Cc2ccccc2)OC[C@](C)(C(=O)c2ccccc2)O1
InChIInChI=1S/C19H20O3/c1-18(17(20)16-11-7-4-8-12-16)14-21-19(2,22-18)13-15-9-5-3-6-10-15/h3-12H,13-14H2,1-2H3/t18-,19-/m1/s1
InChIKeyZSZCGJZMJIJCSP-RTBURBONSA-N
MW296.37 g/mol
LogP3.63
Rot. Bonds4

About [(2R,4R)-2-benzyl-2,4-dimethyl-1,3-dioxolan-4-yl]-phenylmethanone

[(2R,4R)-2-benzyl-2,4-dimethyl-1,3-dioxolan-4-yl]-phenylmethanone (PubChem CID 54564674) has the molecular formula C19H20O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is [(2R,4R)-2-benzyl-2,4-dimethyl-1,3-dioxolan-4-yl]-phenylmethanone.

Molecular Properties

Compound Name[(2R,4R)-2-benzyl-2,4-dimethyl-1,3-dioxolan-4-yl]-phenylmethanone
PubChem CID54564674
Molecular FormulaC19H20O3
Molecular Weight296.37 g/mol
Exact Mass296.14
IUPAC Name[(2R,4R)-2-benzyl-2,4-dimethyl-1,3-dioxolan-4-yl]-phenylmethanone
SMILESC[C@@]1(Cc2ccccc2)OC[C@](C)(C(=O)c2ccccc2)O1
InChIInChI=1S/C19H20O3/c1-18(17(20)16-11-7-4-8-12-16)14-21-19(2,22-18)13-15-9-5-3-6-10-15/h3-12H,13-14H2,1-2H3/t18-,19-/m1/s1
InChIKeyZSZCGJZMJIJCSP-RTBURBONSA-N
XLogP3.63
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2R,4R)-2-benzyl-2,4-dimethyl-1,3-dioxolan-4-yl]-phenylmethanone?
The IUPAC name of [(2R,4R)-2-benzyl-2,4-dimethyl-1,3-dioxolan-4-yl]-phenylmethanone (CID 54564674) is [(2R,4R)-2-benzyl-2,4-dimethyl-1,3-dioxolan-4-yl]-phenylmethanone.
What is the SMILES notation for [(2R,4R)-2-benzyl-2,4-dimethyl-1,3-dioxolan-4-yl]-phenylmethanone?
The canonical SMILES for [(2R,4R)-2-benzyl-2,4-dimethyl-1,3-dioxolan-4-yl]-phenylmethanone is C[C@@]1(Cc2ccccc2)OC[C@](C)(C(=O)c2ccccc2)O1.
What is the InChIKey of [(2R,4R)-2-benzyl-2,4-dimethyl-1,3-dioxolan-4-yl]-phenylmethanone?
The InChIKey is ZSZCGJZMJIJCSP-RTBURBONSA-N. The full InChI is InChI=1S/C19H20O3/c1-18(17(20)16-11-7-4-8-12-16)14-21-19(2,22-18)13-15-9-5-3-6-10-15/h3-12H,13-14H2,1-2H3/t18-,19-/m1/s1.
What are the key properties of [(2R,4R)-2-benzyl-2,4-dimethyl-1,3-dioxolan-4-yl]-phenylmethanone?
[(2R,4R)-2-benzyl-2,4-dimethyl-1,3-dioxolan-4-yl]-phenylmethanone has a molecular weight of 296.37 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4R)-2-benzyl-2,4-dimethyl-1,3-dioxolan-4-yl]-phenylmethanone is sourced from PubChem (CID 54564674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).