2-(2-chlorophenyl)-7,8-dihydro-[1,4]dioxino[2,3-g][3,1]benzoxazin-4-one

C16H10ClNO4 — CID 25400532

IUPAC2-(2-chlorophenyl)-7,8-dihydro-[1,4]dioxino[2,3-g][3,1]benzoxazin-4-one
SMILESO=c1oc(-c2ccccc2Cl)nc2cc3c(cc12)OCCO3
InChIInChI=1S/C16H10ClNO4/c17-11-4-2-1-3-9(11)15-18-12-8-14-13(20-5-6-21-14)7-10(12)16(19)22-15/h1-4,7-8H,5-6H2
InChIKeyRMEUFAVEIHZTRM-UHFFFAOYSA-N
MW315.71 g/mol
LogP3.28
Rot. Bonds1

About 2-(2-chlorophenyl)-7,8-dihydro-[1,4]dioxino[2,3-g][3,1]benzoxazin-4-one

2-(2-chlorophenyl)-7,8-dihydro-[1,4]dioxino[2,3-g][3,1]benzoxazin-4-one (PubChem CID 25400532) has the molecular formula C16H10ClNO4 and a molecular weight of 315.71 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-7,8-dihydro-[1,4]dioxino[2,3-g][3,1]benzoxazin-4-one.

Molecular Properties

Compound Name2-(2-chlorophenyl)-7,8-dihydro-[1,4]dioxino[2,3-g][3,1]benzoxazin-4-one
PubChem CID25400532
Molecular FormulaC16H10ClNO4
Molecular Weight315.71 g/mol
Exact Mass315.03
IUPAC Name2-(2-chlorophenyl)-7,8-dihydro-[1,4]dioxino[2,3-g][3,1]benzoxazin-4-one
SMILESO=c1oc(-c2ccccc2Cl)nc2cc3c(cc12)OCCO3
InChIInChI=1S/C16H10ClNO4/c17-11-4-2-1-3-9(11)15-18-12-8-14-13(20-5-6-21-14)7-10(12)16(19)22-15/h1-4,7-8H,5-6H2
InChIKeyRMEUFAVEIHZTRM-UHFFFAOYSA-N
XLogP3.28
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.71
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-7,8-dihydro-[1,4]dioxino[2,3-g][3,1]benzoxazin-4-one?
The IUPAC name of 2-(2-chlorophenyl)-7,8-dihydro-[1,4]dioxino[2,3-g][3,1]benzoxazin-4-one (CID 25400532) is 2-(2-chlorophenyl)-7,8-dihydro-[1,4]dioxino[2,3-g][3,1]benzoxazin-4-one.
What is the SMILES notation for 2-(2-chlorophenyl)-7,8-dihydro-[1,4]dioxino[2,3-g][3,1]benzoxazin-4-one?
The canonical SMILES for 2-(2-chlorophenyl)-7,8-dihydro-[1,4]dioxino[2,3-g][3,1]benzoxazin-4-one is O=c1oc(-c2ccccc2Cl)nc2cc3c(cc12)OCCO3.
What is the InChIKey of 2-(2-chlorophenyl)-7,8-dihydro-[1,4]dioxino[2,3-g][3,1]benzoxazin-4-one?
The InChIKey is RMEUFAVEIHZTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClNO4/c17-11-4-2-1-3-9(11)15-18-12-8-14-13(20-5-6-21-14)7-10(12)16(19)22-15/h1-4,7-8H,5-6H2.
What are the key properties of 2-(2-chlorophenyl)-7,8-dihydro-[1,4]dioxino[2,3-g][3,1]benzoxazin-4-one?
2-(2-chlorophenyl)-7,8-dihydro-[1,4]dioxino[2,3-g][3,1]benzoxazin-4-one has a molecular weight of 315.71 g/mol, XLogP of 3.28, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-7,8-dihydro-[1,4]dioxino[2,3-g][3,1]benzoxazin-4-one is sourced from PubChem (CID 25400532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).