(3R)-3-(3-bromophenyl)-3,4-dihydro-2H-1,4-benzoxazine

C14H12BrNO — CID 57325804

IUPAC(3R)-3-(3-bromophenyl)-3,4-dihydro-2H-1,4-benzoxazine
SMILESBrc1cccc([C@@H]2COc3ccccc3N2)c1
InChIInChI=1S/C14H12BrNO/c15-11-5-3-4-10(8-11)13-9-17-14-7-2-1-6-12(14)16-13/h1-8,13,16H,9H2/t13-/m0/s1
InChIKeyBVMDZLBQQXQHBN-ZDUSSCGKSA-N
MW290.16 g/mol
LogP3.99
Rot. Bonds1

About (3R)-3-(3-bromophenyl)-3,4-dihydro-2H-1,4-benzoxazine

(3R)-3-(3-bromophenyl)-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 57325804) has the molecular formula C14H12BrNO and a molecular weight of 290.16 g/mol. Its IUPAC name is (3R)-3-(3-bromophenyl)-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name(3R)-3-(3-bromophenyl)-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID57325804
Molecular FormulaC14H12BrNO
Molecular Weight290.16 g/mol
Exact Mass289.01
IUPAC Name(3R)-3-(3-bromophenyl)-3,4-dihydro-2H-1,4-benzoxazine
SMILESBrc1cccc([C@@H]2COc3ccccc3N2)c1
InChIInChI=1S/C14H12BrNO/c15-11-5-3-4-10(8-11)13-9-17-14-7-2-1-6-12(14)16-13/h1-8,13,16H,9H2/t13-/m0/s1
InChIKeyBVMDZLBQQXQHBN-ZDUSSCGKSA-N
XLogP3.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.16
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3-bromophenyl)-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of (3R)-3-(3-bromophenyl)-3,4-dihydro-2H-1,4-benzoxazine (CID 57325804) is (3R)-3-(3-bromophenyl)-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for (3R)-3-(3-bromophenyl)-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for (3R)-3-(3-bromophenyl)-3,4-dihydro-2H-1,4-benzoxazine is Brc1cccc([C@@H]2COc3ccccc3N2)c1.
What is the InChIKey of (3R)-3-(3-bromophenyl)-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is BVMDZLBQQXQHBN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H12BrNO/c15-11-5-3-4-10(8-11)13-9-17-14-7-2-1-6-12(14)16-13/h1-8,13,16H,9H2/t13-/m0/s1.
What are the key properties of (3R)-3-(3-bromophenyl)-3,4-dihydro-2H-1,4-benzoxazine?
(3R)-3-(3-bromophenyl)-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 290.16 g/mol, XLogP of 3.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3-bromophenyl)-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 57325804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).