4-[(3-chloro-4-hydroxyphenyl)methylidene]-3-methylidene-1,2-oxazolidin-5-one

C11H8ClNO3 — CID 3631065

IUPAC4-[(3-chloro-4-hydroxyphenyl)methylidene]-3-methylidene-1,2-oxazolidin-5-one
SMILESC=c1[nH]oc(=O)c1=Cc1ccc(O)c(Cl)c1
InChIInChI=1S/C11H8ClNO3/c1-6-8(11(15)16-13-6)4-7-2-3-10(14)9(12)5-7/h2-5,13-14H,1H2
InChIKeyGPXMWEXONDDJLD-UHFFFAOYSA-N
MW237.64 g/mol
LogP0.57
Rot. Bonds1

About 4-[(3-chloro-4-hydroxyphenyl)methylidene]-3-methylidene-1,2-oxazolidin-5-one

4-[(3-chloro-4-hydroxyphenyl)methylidene]-3-methylidene-1,2-oxazolidin-5-one (PubChem CID 3631065) has the molecular formula C11H8ClNO3 and a molecular weight of 237.64 g/mol. Its IUPAC name is 4-[(3-chloro-4-hydroxyphenyl)methylidene]-3-methylidene-1,2-oxazolidin-5-one.

Molecular Properties

Compound Name4-[(3-chloro-4-hydroxyphenyl)methylidene]-3-methylidene-1,2-oxazolidin-5-one
PubChem CID3631065
Molecular FormulaC11H8ClNO3
Molecular Weight237.64 g/mol
Exact Mass237.02
IUPAC Name4-[(3-chloro-4-hydroxyphenyl)methylidene]-3-methylidene-1,2-oxazolidin-5-one
SMILESC=c1[nH]oc(=O)c1=Cc1ccc(O)c(Cl)c1
InChIInChI=1S/C11H8ClNO3/c1-6-8(11(15)16-13-6)4-7-2-3-10(14)9(12)5-7/h2-5,13-14H,1H2
InChIKeyGPXMWEXONDDJLD-UHFFFAOYSA-N
XLogP0.57
TPSA66.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.64
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[(3-chloro-4-hydroxyphenyl)methylidene]-3-methylidene-1,2-oxazolidin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-methylidene-1,2-oxazolidin-5-one
CID 4282741
4-[[3-chloro-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-methylidene-1,2-oxazolidin-5-one
CID 3280679
(4Z)-4-[(3-methoxy-4-propan-2-yloxyphenyl)methylidene]-3-methylidene-1,2-oxazolidin-5-one
CID 2189320
(4E)-4-[(3-methoxy-4-propan-2-yloxyphenyl)methylidene]-3-methylidene-1,2-oxazolidin-5-one
CID 2189319
5-[(3-chloro-4-hydroxyphenyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168600374
(E)-3-(3-chloro-4-hydroxyphenyl)prop-2-enamide
CID 131243997
(4E)-4-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-3-methylidene-1,2-oxazolidin-5-one
CID 6373254
4,7-dichloro-2-[(3-chloro-4-hydroxyphenyl)methylidene]-1-benzofuran-3-one
CID 171131524
(3E,5Z)-3,5-bis[(3-chloro-4-hydroxyphenyl)methylidene]thian-4-one
CID 52771945
5-[(3-chloro-4-hydroxyphenyl)methylidene]-1-(3-chlorophenyl)-1,3-diazinane-2,4,6-trione
CID 6614257
2-chloro-4-(2,2-dichloroethenyl)phenol
CID 14074061
(4Z)-4-[(3-chloro-4-hydroxyphenyl)methylidene]-1-phenylpyrazolidine-3,5-dione
CID 126409887

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloro-4-hydroxyphenyl)methylidene]-3-methylidene-1,2-oxazolidin-5-one?
The IUPAC name of 4-[(3-chloro-4-hydroxyphenyl)methylidene]-3-methylidene-1,2-oxazolidin-5-one (CID 3631065) is 4-[(3-chloro-4-hydroxyphenyl)methylidene]-3-methylidene-1,2-oxazolidin-5-one.
What is the SMILES notation for 4-[(3-chloro-4-hydroxyphenyl)methylidene]-3-methylidene-1,2-oxazolidin-5-one?
The canonical SMILES for 4-[(3-chloro-4-hydroxyphenyl)methylidene]-3-methylidene-1,2-oxazolidin-5-one is C=c1[nH]oc(=O)c1=Cc1ccc(O)c(Cl)c1.
What is the InChIKey of 4-[(3-chloro-4-hydroxyphenyl)methylidene]-3-methylidene-1,2-oxazolidin-5-one?
The InChIKey is GPXMWEXONDDJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNO3/c1-6-8(11(15)16-13-6)4-7-2-3-10(14)9(12)5-7/h2-5,13-14H,1H2.
What are the key properties of 4-[(3-chloro-4-hydroxyphenyl)methylidene]-3-methylidene-1,2-oxazolidin-5-one?
4-[(3-chloro-4-hydroxyphenyl)methylidene]-3-methylidene-1,2-oxazolidin-5-one has a molecular weight of 237.64 g/mol, XLogP of 0.57, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chloro-4-hydroxyphenyl)methylidene]-3-methylidene-1,2-oxazolidin-5-one is sourced from PubChem (CID 3631065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).