4-(4-chlorophenyl)-6-methylidene-1,3-dioxan-2-one

C11H9ClO3 — CID 11499565

IUPAC4-(4-chlorophenyl)-6-methylidene-1,3-dioxan-2-one
SMILESC=C1CC(c2ccc(Cl)cc2)OC(=O)O1
InChIInChI=1S/C11H9ClO3/c1-7-6-10(15-11(13)14-7)8-2-4-9(12)5-3-8/h2-5,10H,1,6H2
InChIKeyNEPSHFGOKJNEKC-UHFFFAOYSA-N
MW224.64 g/mol
LogP3.45
Rot. Bonds1

About 4-(4-chlorophenyl)-6-methylidene-1,3-dioxan-2-one

4-(4-chlorophenyl)-6-methylidene-1,3-dioxan-2-one (PubChem CID 11499565) has the molecular formula C11H9ClO3 and a molecular weight of 224.64 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-6-methylidene-1,3-dioxan-2-one.

Molecular Properties

Compound Name4-(4-chlorophenyl)-6-methylidene-1,3-dioxan-2-one
PubChem CID11499565
Molecular FormulaC11H9ClO3
Molecular Weight224.64 g/mol
Exact Mass224.02
IUPAC Name4-(4-chlorophenyl)-6-methylidene-1,3-dioxan-2-one
SMILESC=C1CC(c2ccc(Cl)cc2)OC(=O)O1
InChIInChI=1S/C11H9ClO3/c1-7-6-10(15-11(13)14-7)8-2-4-9(12)5-3-8/h2-5,10H,1,6H2
InChIKeyNEPSHFGOKJNEKC-UHFFFAOYSA-N
XLogP3.45
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.64
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 82046236
(2R)-2-(4-chlorophenyl)-2,3-dihydropyran-4-one
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(2R,6S)-2-(4-chlorophenyl)-4-methylidene-6-phenyloxane
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(2R)-2-(4-chlorophenyl)oxan-4-one
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5-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-1,2-oxazolidin-3-one
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6-chloro-2-(3,4-dichlorophenyl)-2,3-dihydrochromen-4-one
CID 114672781
2-(4-chlorophenyl)-4-methylidene-1,3-dioxepane
CID 86198264
4-[4-(2-oxo-1,3-dioxolan-4-yl)phenyl]-1,3-dioxolan-2-one
CID 118347041
2-(4-chlorophenyl)oxolane;formaldehyde
CID 169170436
6-(4-chlorophenyl)-4-methyl-1,3,4-oxadiazinan-2-one
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CID 102390074

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-6-methylidene-1,3-dioxan-2-one?
The IUPAC name of 4-(4-chlorophenyl)-6-methylidene-1,3-dioxan-2-one (CID 11499565) is 4-(4-chlorophenyl)-6-methylidene-1,3-dioxan-2-one.
What is the SMILES notation for 4-(4-chlorophenyl)-6-methylidene-1,3-dioxan-2-one?
The canonical SMILES for 4-(4-chlorophenyl)-6-methylidene-1,3-dioxan-2-one is C=C1CC(c2ccc(Cl)cc2)OC(=O)O1.
What is the InChIKey of 4-(4-chlorophenyl)-6-methylidene-1,3-dioxan-2-one?
The InChIKey is NEPSHFGOKJNEKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClO3/c1-7-6-10(15-11(13)14-7)8-2-4-9(12)5-3-8/h2-5,10H,1,6H2.
What are the key properties of 4-(4-chlorophenyl)-6-methylidene-1,3-dioxan-2-one?
4-(4-chlorophenyl)-6-methylidene-1,3-dioxan-2-one has a molecular weight of 224.64 g/mol, XLogP of 3.45, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-6-methylidene-1,3-dioxan-2-one is sourced from PubChem (CID 11499565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).