3-methyl-5-[6-[(2-methylphenoxy)methylidene]cyclohexa-1,3-dien-1-yl]-1,3-oxazolidine-2,4-dione

C18H17NO4 — CID 70240497

IUPAC3-methyl-5-[6-[(2-methylphenoxy)methylidene]cyclohexa-1,3-dien-1-yl]-1,3-oxazolidine-2,4-dione
SMILESCc1ccccc1OC=C1CC=CC=C1C1OC(=O)N(C)C1=O
InChIInChI=1S/C18H17NO4/c1-12-7-3-6-10-15(12)22-11-13-8-4-5-9-14(13)16-17(20)19(2)18(21)23-16/h3-7,9-11,16H,8H2,1-2H3
InChIKeyUDERFUJUABJFOF-UHFFFAOYSA-N
MW311.34 g/mol
LogP3.12
Rot. Bonds3

About 3-methyl-5-[6-[(2-methylphenoxy)methylidene]cyclohexa-1,3-dien-1-yl]-1,3-oxazolidine-2,4-dione

3-methyl-5-[6-[(2-methylphenoxy)methylidene]cyclohexa-1,3-dien-1-yl]-1,3-oxazolidine-2,4-dione (PubChem CID 70240497) has the molecular formula C18H17NO4 and a molecular weight of 311.34 g/mol. Its IUPAC name is 3-methyl-5-[6-[(2-methylphenoxy)methylidene]cyclohexa-1,3-dien-1-yl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name3-methyl-5-[6-[(2-methylphenoxy)methylidene]cyclohexa-1,3-dien-1-yl]-1,3-oxazolidine-2,4-dione
PubChem CID70240497
Molecular FormulaC18H17NO4
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC Name3-methyl-5-[6-[(2-methylphenoxy)methylidene]cyclohexa-1,3-dien-1-yl]-1,3-oxazolidine-2,4-dione
SMILESCc1ccccc1OC=C1CC=CC=C1C1OC(=O)N(C)C1=O
InChIInChI=1S/C18H17NO4/c1-12-7-3-6-10-15(12)22-11-13-8-4-5-9-14(13)16-17(20)19(2)18(21)23-16/h3-7,9-11,16H,8H2,1-2H3
InChIKeyUDERFUJUABJFOF-UHFFFAOYSA-N
XLogP3.12
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[6-[(2-methylphenoxy)methylidene]cyclohexa-1,3-dien-1-yl]-1,3-oxazolidine-2,4-dione?
The IUPAC name of 3-methyl-5-[6-[(2-methylphenoxy)methylidene]cyclohexa-1,3-dien-1-yl]-1,3-oxazolidine-2,4-dione (CID 70240497) is 3-methyl-5-[6-[(2-methylphenoxy)methylidene]cyclohexa-1,3-dien-1-yl]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 3-methyl-5-[6-[(2-methylphenoxy)methylidene]cyclohexa-1,3-dien-1-yl]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 3-methyl-5-[6-[(2-methylphenoxy)methylidene]cyclohexa-1,3-dien-1-yl]-1,3-oxazolidine-2,4-dione is Cc1ccccc1OC=C1CC=CC=C1C1OC(=O)N(C)C1=O.
What is the InChIKey of 3-methyl-5-[6-[(2-methylphenoxy)methylidene]cyclohexa-1,3-dien-1-yl]-1,3-oxazolidine-2,4-dione?
The InChIKey is UDERFUJUABJFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4/c1-12-7-3-6-10-15(12)22-11-13-8-4-5-9-14(13)16-17(20)19(2)18(21)23-16/h3-7,9-11,16H,8H2,1-2H3.
What are the key properties of 3-methyl-5-[6-[(2-methylphenoxy)methylidene]cyclohexa-1,3-dien-1-yl]-1,3-oxazolidine-2,4-dione?
3-methyl-5-[6-[(2-methylphenoxy)methylidene]cyclohexa-1,3-dien-1-yl]-1,3-oxazolidine-2,4-dione has a molecular weight of 311.34 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[6-[(2-methylphenoxy)methylidene]cyclohexa-1,3-dien-1-yl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 70240497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).