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

C14H10ClNO — CID 19099047

IUPAC2-(4-chlorophenyl)-4H-1,3-benzoxazine
SMILESClc1ccc(C2=NCc3ccccc3O2)cc1
InChIInChI=1S/C14H10ClNO/c15-12-7-5-10(6-8-12)14-16-9-11-3-1-2-4-13(11)17-14/h1-8H,9H2
InChIKeyJMMGWUPXZQTNRN-UHFFFAOYSA-N
MW243.69 g/mol
LogP3.68
Rot. Bonds1

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

2-(4-chlorophenyl)-4H-1,3-benzoxazine (PubChem CID 19099047) has the molecular formula C14H10ClNO and a molecular weight of 243.69 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4H-1,3-benzoxazine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4H-1,3-benzoxazine
PubChem CID19099047
Molecular FormulaC14H10ClNO
Molecular Weight243.69 g/mol
Exact Mass243.05
IUPAC Name2-(4-chlorophenyl)-4H-1,3-benzoxazine
SMILESClc1ccc(C2=NCc3ccccc3O2)cc1
InChIInChI=1S/C14H10ClNO/c15-12-7-5-10(6-8-12)14-16-9-11-3-1-2-4-13(11)17-14/h1-8H,9H2
InChIKeyJMMGWUPXZQTNRN-UHFFFAOYSA-N
XLogP3.68
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 ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4H-1,3-benzoxazine-2-carbaldehyde
CID 175327829
2-(4-chlorophenyl)-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one
CID 12617988
1-(4-chlorophenyl)-3,4-dihydroisoquinoline
CID 14998904
9H-xanthene
CID 7107
2-chloro-4H-chromene
CID 66790877
(3aS,8bR)-3-(4-chlorophenyl)-4,8b-dihydro-3aH-indeno[2,1-d][1,2]oxazole
CID 10989315
3,7-bis(4-chlorophenyl)-2,8-dioxa-1λ4-thia-4,6-diazabicyclo[3.3.0]octa-1(5),3,6-triene
CID 3474348
(3Z)-5-(4-chlorophenyl)-1,6-benzoxazocin-2-one
CID 102431034
2-(4-chlorophenyl)-4-(4-phenylphenyl)-1,3,5-triazine
CID 151473661
2-(4-methylphenyl)-4H-1,3-oxazol-5-one
CID 10464810
2-chloro-11H-[1]benzoxepino[3,4-b]pyridin-5-one
CID 67210688
3-(2,1,3-benzothiadiazol-5-yl)-4-(4-chlorophenyl)furan-2,5-dione
CID 56998674

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4H-1,3-benzoxazine?
The IUPAC name of 2-(4-chlorophenyl)-4H-1,3-benzoxazine (CID 19099047) is 2-(4-chlorophenyl)-4H-1,3-benzoxazine.
What is the SMILES notation for 2-(4-chlorophenyl)-4H-1,3-benzoxazine?
The canonical SMILES for 2-(4-chlorophenyl)-4H-1,3-benzoxazine is Clc1ccc(C2=NCc3ccccc3O2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-4H-1,3-benzoxazine?
The InChIKey is JMMGWUPXZQTNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO/c15-12-7-5-10(6-8-12)14-16-9-11-3-1-2-4-13(11)17-14/h1-8H,9H2.
What are the key properties of 2-(4-chlorophenyl)-4H-1,3-benzoxazine?
2-(4-chlorophenyl)-4H-1,3-benzoxazine has a molecular weight of 243.69 g/mol, XLogP of 3.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4H-1,3-benzoxazine is sourced from PubChem (CID 19099047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).