(5S)-2-ethyl-5-(4-hydroxyphenyl)-1,3-dioxolan-4-one

C11H12O4 — CID 45094891

IUPAC(5S)-2-ethyl-5-(4-hydroxyphenyl)-1,3-dioxolan-4-one
SMILESCCC1OC(=O)[C@H](c2ccc(O)cc2)O1
InChIInChI=1S/C11H12O4/c1-2-9-14-10(11(13)15-9)7-3-5-8(12)6-4-7/h3-6,9-10,12H,2H2,1H3/t9?,10-/m0/s1
InChIKeyCARSWJDFBQZDNP-AXDSSHIGSA-N
MW208.21 g/mol
LogP1.74
Rot. Bonds2

About (5S)-2-ethyl-5-(4-hydroxyphenyl)-1,3-dioxolan-4-one

(5S)-2-ethyl-5-(4-hydroxyphenyl)-1,3-dioxolan-4-one (PubChem CID 45094891) has the molecular formula C11H12O4 and a molecular weight of 208.21 g/mol. Its IUPAC name is (5S)-2-ethyl-5-(4-hydroxyphenyl)-1,3-dioxolan-4-one.

Molecular Properties

Compound Name(5S)-2-ethyl-5-(4-hydroxyphenyl)-1,3-dioxolan-4-one
PubChem CID45094891
Molecular FormulaC11H12O4
Molecular Weight208.21 g/mol
Exact Mass208.07
IUPAC Name(5S)-2-ethyl-5-(4-hydroxyphenyl)-1,3-dioxolan-4-one
SMILESCCC1OC(=O)[C@H](c2ccc(O)cc2)O1
InChIInChI=1S/C11H12O4/c1-2-9-14-10(11(13)15-9)7-3-5-8(12)6-4-7/h3-6,9-10,12H,2H2,1H3/t9?,10-/m0/s1
InChIKeyCARSWJDFBQZDNP-AXDSSHIGSA-N
XLogP1.74
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5S)-2-ethyl-5-(4-hydroxyphenyl)-1,3-dioxolan-4-one?
The IUPAC name of (5S)-2-ethyl-5-(4-hydroxyphenyl)-1,3-dioxolan-4-one (CID 45094891) is (5S)-2-ethyl-5-(4-hydroxyphenyl)-1,3-dioxolan-4-one.
What is the SMILES notation for (5S)-2-ethyl-5-(4-hydroxyphenyl)-1,3-dioxolan-4-one?
The canonical SMILES for (5S)-2-ethyl-5-(4-hydroxyphenyl)-1,3-dioxolan-4-one is CCC1OC(=O)[C@H](c2ccc(O)cc2)O1.
What is the InChIKey of (5S)-2-ethyl-5-(4-hydroxyphenyl)-1,3-dioxolan-4-one?
The InChIKey is CARSWJDFBQZDNP-AXDSSHIGSA-N. The full InChI is InChI=1S/C11H12O4/c1-2-9-14-10(11(13)15-9)7-3-5-8(12)6-4-7/h3-6,9-10,12H,2H2,1H3/t9?,10-/m0/s1.
What are the key properties of (5S)-2-ethyl-5-(4-hydroxyphenyl)-1,3-dioxolan-4-one?
(5S)-2-ethyl-5-(4-hydroxyphenyl)-1,3-dioxolan-4-one has a molecular weight of 208.21 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-ethyl-5-(4-hydroxyphenyl)-1,3-dioxolan-4-one is sourced from PubChem (CID 45094891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).