7-chloro-2-(furan-2-yl)-3,4-dihydro-2H-1,4-benzoxazine

C12H10ClNO2 — CID 81429879

IUPAC7-chloro-2-(furan-2-yl)-3,4-dihydro-2H-1,4-benzoxazine
SMILESClc1ccc2c(c1)OC(c1ccco1)CN2
InChIInChI=1S/C12H10ClNO2/c13-8-3-4-9-11(6-8)16-12(7-14-9)10-2-1-5-15-10/h1-6,12,14H,7H2
InChIKeyQJSDMBXHCKWPFR-UHFFFAOYSA-N
MW235.67 g/mol
LogP3.48
Rot. Bonds1

About 7-chloro-2-(furan-2-yl)-3,4-dihydro-2H-1,4-benzoxazine

7-chloro-2-(furan-2-yl)-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 81429879) has the molecular formula C12H10ClNO2 and a molecular weight of 235.67 g/mol. Its IUPAC name is 7-chloro-2-(furan-2-yl)-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name7-chloro-2-(furan-2-yl)-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID81429879
Molecular FormulaC12H10ClNO2
Molecular Weight235.67 g/mol
Exact Mass235.04
IUPAC Name7-chloro-2-(furan-2-yl)-3,4-dihydro-2H-1,4-benzoxazine
SMILESClc1ccc2c(c1)OC(c1ccco1)CN2
InChIInChI=1S/C12H10ClNO2/c13-8-3-4-9-11(6-8)16-12(7-14-9)10-2-1-5-15-10/h1-6,12,14H,7H2
InChIKeyQJSDMBXHCKWPFR-UHFFFAOYSA-N
XLogP3.48
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.67
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(furan-2-yl)-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 7-chloro-2-(furan-2-yl)-3,4-dihydro-2H-1,4-benzoxazine (CID 81429879) is 7-chloro-2-(furan-2-yl)-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 7-chloro-2-(furan-2-yl)-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 7-chloro-2-(furan-2-yl)-3,4-dihydro-2H-1,4-benzoxazine is Clc1ccc2c(c1)OC(c1ccco1)CN2.
What is the InChIKey of 7-chloro-2-(furan-2-yl)-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is QJSDMBXHCKWPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO2/c13-8-3-4-9-11(6-8)16-12(7-14-9)10-2-1-5-15-10/h1-6,12,14H,7H2.
What are the key properties of 7-chloro-2-(furan-2-yl)-3,4-dihydro-2H-1,4-benzoxazine?
7-chloro-2-(furan-2-yl)-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 235.67 g/mol, XLogP of 3.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(furan-2-yl)-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 81429879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).