5-(2-chloro-4-hydroxyphenyl)-2,2-dimethyl-1,3-dioxolan-4-one

C11H11ClO4 — CID 69452928

IUPAC5-(2-chloro-4-hydroxyphenyl)-2,2-dimethyl-1,3-dioxolan-4-one
SMILESCC1(C)OC(=O)C(c2ccc(O)cc2Cl)O1
InChIInChI=1S/C11H11ClO4/c1-11(2)15-9(10(14)16-11)7-4-3-6(13)5-8(7)12/h3-5,9,13H,1-2H3
InChIKeyHAWOEOORWZDISW-UHFFFAOYSA-N
MW242.66 g/mol
LogP2.40
Rot. Bonds1

About 5-(2-chloro-4-hydroxyphenyl)-2,2-dimethyl-1,3-dioxolan-4-one

5-(2-chloro-4-hydroxyphenyl)-2,2-dimethyl-1,3-dioxolan-4-one (PubChem CID 69452928) has the molecular formula C11H11ClO4 and a molecular weight of 242.66 g/mol. Its IUPAC name is 5-(2-chloro-4-hydroxyphenyl)-2,2-dimethyl-1,3-dioxolan-4-one.

Molecular Properties

Compound Name5-(2-chloro-4-hydroxyphenyl)-2,2-dimethyl-1,3-dioxolan-4-one
PubChem CID69452928
Molecular FormulaC11H11ClO4
Molecular Weight242.66 g/mol
Exact Mass242.03
IUPAC Name5-(2-chloro-4-hydroxyphenyl)-2,2-dimethyl-1,3-dioxolan-4-one
SMILESCC1(C)OC(=O)C(c2ccc(O)cc2Cl)O1
InChIInChI=1S/C11H11ClO4/c1-11(2)15-9(10(14)16-11)7-4-3-6(13)5-8(7)12/h3-5,9,13H,1-2H3
InChIKeyHAWOEOORWZDISW-UHFFFAOYSA-N
XLogP2.40
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.66
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-4-hydroxyphenyl)-2,2-dimethyl-1,3-dioxolan-4-one?
The IUPAC name of 5-(2-chloro-4-hydroxyphenyl)-2,2-dimethyl-1,3-dioxolan-4-one (CID 69452928) is 5-(2-chloro-4-hydroxyphenyl)-2,2-dimethyl-1,3-dioxolan-4-one.
What is the SMILES notation for 5-(2-chloro-4-hydroxyphenyl)-2,2-dimethyl-1,3-dioxolan-4-one?
The canonical SMILES for 5-(2-chloro-4-hydroxyphenyl)-2,2-dimethyl-1,3-dioxolan-4-one is CC1(C)OC(=O)C(c2ccc(O)cc2Cl)O1.
What is the InChIKey of 5-(2-chloro-4-hydroxyphenyl)-2,2-dimethyl-1,3-dioxolan-4-one?
The InChIKey is HAWOEOORWZDISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClO4/c1-11(2)15-9(10(14)16-11)7-4-3-6(13)5-8(7)12/h3-5,9,13H,1-2H3.
What are the key properties of 5-(2-chloro-4-hydroxyphenyl)-2,2-dimethyl-1,3-dioxolan-4-one?
5-(2-chloro-4-hydroxyphenyl)-2,2-dimethyl-1,3-dioxolan-4-one has a molecular weight of 242.66 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-4-hydroxyphenyl)-2,2-dimethyl-1,3-dioxolan-4-one is sourced from PubChem (CID 69452928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).