(2R,4R)-4-[(3-methoxyphenoxy)methyl]-1,3,2-dioxathiolane 2-oxide

C10H12O5S — CID 11903917

IUPAC(2R,4R)-4-[(3-methoxyphenoxy)methyl]-1,3,2-dioxathiolane 2-oxide
SMILESCOc1cccc(OC[C@@H]2CO[S@](=O)O2)c1
InChIInChI=1S/C10H12O5S/c1-12-8-3-2-4-9(5-8)13-6-10-7-14-16(11)15-10/h2-5,10H,6-7H2,1H3/t10-,16+/m1/s1
InChIKeyNUVIMQQWEGHXKX-HWPZZCPQSA-N
MW244.27 g/mol
LogP1.07
Rot. Bonds4

About (2R,4R)-4-[(3-methoxyphenoxy)methyl]-1,3,2-dioxathiolane 2-oxide

(2R,4R)-4-[(3-methoxyphenoxy)methyl]-1,3,2-dioxathiolane 2-oxide (PubChem CID 11903917) has the molecular formula C10H12O5S and a molecular weight of 244.27 g/mol. Its IUPAC name is (2R,4R)-4-[(3-methoxyphenoxy)methyl]-1,3,2-dioxathiolane 2-oxide.

Molecular Properties

Compound Name(2R,4R)-4-[(3-methoxyphenoxy)methyl]-1,3,2-dioxathiolane 2-oxide
PubChem CID11903917
Molecular FormulaC10H12O5S
Molecular Weight244.27 g/mol
Exact Mass244.04
IUPAC Name(2R,4R)-4-[(3-methoxyphenoxy)methyl]-1,3,2-dioxathiolane 2-oxide
SMILESCOc1cccc(OC[C@@H]2CO[S@](=O)O2)c1
InChIInChI=1S/C10H12O5S/c1-12-8-3-2-4-9(5-8)13-6-10-7-14-16(11)15-10/h2-5,10H,6-7H2,1H3/t10-,16+/m1/s1
InChIKeyNUVIMQQWEGHXKX-HWPZZCPQSA-N
XLogP1.07
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-[(3-methoxyphenoxy)methyl]-1,3,2-dioxathiolane 2-oxide?
The IUPAC name of (2R,4R)-4-[(3-methoxyphenoxy)methyl]-1,3,2-dioxathiolane 2-oxide (CID 11903917) is (2R,4R)-4-[(3-methoxyphenoxy)methyl]-1,3,2-dioxathiolane 2-oxide.
What is the SMILES notation for (2R,4R)-4-[(3-methoxyphenoxy)methyl]-1,3,2-dioxathiolane 2-oxide?
The canonical SMILES for (2R,4R)-4-[(3-methoxyphenoxy)methyl]-1,3,2-dioxathiolane 2-oxide is COc1cccc(OC[C@@H]2CO[S@](=O)O2)c1.
What is the InChIKey of (2R,4R)-4-[(3-methoxyphenoxy)methyl]-1,3,2-dioxathiolane 2-oxide?
The InChIKey is NUVIMQQWEGHXKX-HWPZZCPQSA-N. The full InChI is InChI=1S/C10H12O5S/c1-12-8-3-2-4-9(5-8)13-6-10-7-14-16(11)15-10/h2-5,10H,6-7H2,1H3/t10-,16+/m1/s1.
What are the key properties of (2R,4R)-4-[(3-methoxyphenoxy)methyl]-1,3,2-dioxathiolane 2-oxide?
(2R,4R)-4-[(3-methoxyphenoxy)methyl]-1,3,2-dioxathiolane 2-oxide has a molecular weight of 244.27 g/mol, XLogP of 1.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-[(3-methoxyphenoxy)methyl]-1,3,2-dioxathiolane 2-oxide is sourced from PubChem (CID 11903917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).