ethyl (2R)-2-(2-methyl-1,3-dioxolan-2-yl)-2-phenylacetate

C14H18O4 — CID 86338343

IUPACethyl (2R)-2-(2-methyl-1,3-dioxolan-2-yl)-2-phenylacetate
SMILESCCOC(=O)[C@H](c1ccccc1)C1(C)OCCO1
InChIInChI=1S/C14H18O4/c1-3-16-13(15)12(11-7-5-4-6-8-11)14(2)17-9-10-18-14/h4-8,12H,3,9-10H2,1-2H3/t12-/m0/s1
InChIKeyGEESQPQCIYFSEE-LBPRGKRZSA-N
MW250.29 g/mol
LogP2.10
Rot. Bonds4

About ethyl (2R)-2-(2-methyl-1,3-dioxolan-2-yl)-2-phenylacetate

ethyl (2R)-2-(2-methyl-1,3-dioxolan-2-yl)-2-phenylacetate (PubChem CID 86338343) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is ethyl (2R)-2-(2-methyl-1,3-dioxolan-2-yl)-2-phenylacetate.

Molecular Properties

Compound Nameethyl (2R)-2-(2-methyl-1,3-dioxolan-2-yl)-2-phenylacetate
PubChem CID86338343
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Nameethyl (2R)-2-(2-methyl-1,3-dioxolan-2-yl)-2-phenylacetate
SMILESCCOC(=O)[C@H](c1ccccc1)C1(C)OCCO1
InChIInChI=1S/C14H18O4/c1-3-16-13(15)12(11-7-5-4-6-8-11)14(2)17-9-10-18-14/h4-8,12H,3,9-10H2,1-2H3/t12-/m0/s1
InChIKeyGEESQPQCIYFSEE-LBPRGKRZSA-N
XLogP2.10
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-(2-methyl-1,3-dioxolan-2-yl)-2-phenylacetate?
The IUPAC name of ethyl (2R)-2-(2-methyl-1,3-dioxolan-2-yl)-2-phenylacetate (CID 86338343) is ethyl (2R)-2-(2-methyl-1,3-dioxolan-2-yl)-2-phenylacetate.
What is the SMILES notation for ethyl (2R)-2-(2-methyl-1,3-dioxolan-2-yl)-2-phenylacetate?
The canonical SMILES for ethyl (2R)-2-(2-methyl-1,3-dioxolan-2-yl)-2-phenylacetate is CCOC(=O)[C@H](c1ccccc1)C1(C)OCCO1.
What is the InChIKey of ethyl (2R)-2-(2-methyl-1,3-dioxolan-2-yl)-2-phenylacetate?
The InChIKey is GEESQPQCIYFSEE-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H18O4/c1-3-16-13(15)12(11-7-5-4-6-8-11)14(2)17-9-10-18-14/h4-8,12H,3,9-10H2,1-2H3/t12-/m0/s1.
What are the key properties of ethyl (2R)-2-(2-methyl-1,3-dioxolan-2-yl)-2-phenylacetate?
ethyl (2R)-2-(2-methyl-1,3-dioxolan-2-yl)-2-phenylacetate has a molecular weight of 250.29 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-(2-methyl-1,3-dioxolan-2-yl)-2-phenylacetate is sourced from PubChem (CID 86338343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).