4-(4-chlorophenyl)-1H-2,3-benzoxazine

C14H10ClNO — CID 11402268

IUPAC4-(4-chlorophenyl)-1H-2,3-benzoxazine
SMILESClc1ccc(C2=NOCc3ccccc32)cc1
InChIInChI=1S/C14H10ClNO/c15-12-7-5-10(6-8-12)14-13-4-2-1-3-11(13)9-17-16-14/h1-8H,9H2
InChIKeyFOYQGNWWJGDTAD-UHFFFAOYSA-N
MW243.69 g/mol
LogP3.62
Rot. Bonds1

About 4-(4-chlorophenyl)-1H-2,3-benzoxazine

4-(4-chlorophenyl)-1H-2,3-benzoxazine (PubChem CID 11402268) has the molecular formula C14H10ClNO and a molecular weight of 243.69 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1H-2,3-benzoxazine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1H-2,3-benzoxazine
PubChem CID11402268
Molecular FormulaC14H10ClNO
Molecular Weight243.69 g/mol
Exact Mass243.05
IUPAC Name4-(4-chlorophenyl)-1H-2,3-benzoxazine
SMILESClc1ccc(C2=NOCc3ccccc32)cc1
InChIInChI=1S/C14H10ClNO/c15-12-7-5-10(6-8-12)14-13-4-2-1-3-11(13)9-17-16-14/h1-8H,9H2
InChIKeyFOYQGNWWJGDTAD-UHFFFAOYSA-N
XLogP3.62
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1H-2,3-benzoxazine?
The IUPAC name of 4-(4-chlorophenyl)-1H-2,3-benzoxazine (CID 11402268) is 4-(4-chlorophenyl)-1H-2,3-benzoxazine.
What is the SMILES notation for 4-(4-chlorophenyl)-1H-2,3-benzoxazine?
The canonical SMILES for 4-(4-chlorophenyl)-1H-2,3-benzoxazine is Clc1ccc(C2=NOCc3ccccc32)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-1H-2,3-benzoxazine?
The InChIKey is FOYQGNWWJGDTAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO/c15-12-7-5-10(6-8-12)14-13-4-2-1-3-11(13)9-17-16-14/h1-8H,9H2.
What are the key properties of 4-(4-chlorophenyl)-1H-2,3-benzoxazine?
4-(4-chlorophenyl)-1H-2,3-benzoxazine has a molecular weight of 243.69 g/mol, XLogP of 3.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1H-2,3-benzoxazine is sourced from PubChem (CID 11402268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).