3-(4-bromophenyl)-2H-1,4-benzoxazin-2-ol

C14H10BrNO2 — CID 71391889

IUPAC3-(4-bromophenyl)-2H-1,4-benzoxazin-2-ol
SMILESOC1Oc2ccccc2N=C1c1ccc(Br)cc1
InChIInChI=1S/C14H10BrNO2/c15-10-7-5-9(6-8-10)13-14(17)18-12-4-2-1-3-11(12)16-13/h1-8,14,17H
InChIKeyWMKPSAPVBQQSBK-UHFFFAOYSA-N
MW304.14 g/mol
LogP3.28
Rot. Bonds1

About 3-(4-bromophenyl)-2H-1,4-benzoxazin-2-ol

3-(4-bromophenyl)-2H-1,4-benzoxazin-2-ol (PubChem CID 71391889) has the molecular formula C14H10BrNO2 and a molecular weight of 304.14 g/mol. Its IUPAC name is 3-(4-bromophenyl)-2H-1,4-benzoxazin-2-ol.

Molecular Properties

Compound Name3-(4-bromophenyl)-2H-1,4-benzoxazin-2-ol
PubChem CID71391889
Molecular FormulaC14H10BrNO2
Molecular Weight304.14 g/mol
Exact Mass302.99
IUPAC Name3-(4-bromophenyl)-2H-1,4-benzoxazin-2-ol
SMILESOC1Oc2ccccc2N=C1c1ccc(Br)cc1
InChIInChI=1S/C14H10BrNO2/c15-10-7-5-9(6-8-10)13-14(17)18-12-4-2-1-3-11(12)16-13/h1-8,14,17H
InChIKeyWMKPSAPVBQQSBK-UHFFFAOYSA-N
XLogP3.28
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.14
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenyl)-3H-indole-3-carbaldehyde
CID 174973416
2-fluoro-3-methyl-2H-1,4-benzoxazine
CID 151953033
2-methyl-2H-1,4-benzoxazin-3-amine;trihydrochloride
CID 141019823
2-(4-bromophenyl)indol-3-one
CID 2312809
2-(4-bromophenyl)dibenzo-p-dioxin
CID 126629841
(2S)-2-(1H-benzimidazol-2-yl)-3-(4-bromophenyl)-2H-1,4-benzothiazine
CID 41117985
1-bromo-4-[4-[4-(4-bromophenyl)phenyl]phenyl]benzene
CID 59775505
4-[(Z)-[5-(4-bromophenyl)-6-hydroxy-3,6-dihydro-1,3,4-oxadiazin-2-ylidene]methoxy]-3,4-dihydro-1H-pyrimidin-2-one
CID 177416565
3-(3-bromophenyl)-2H-1,4-benzoxazine
CID 57325803
6-bromo-2-phenyl-4H-3,1-benzoxazine-4-carbaldehyde
CID 174477209
4-[2-(2-chlorophenyl)-3-[(4-methoxyanilino)methyl]-2,3-dihydro-1,5-benzoxazepin-4-yl]phenol
CID 135937319
(2S)-2-methyl-3-phenyl-1,4-benzoxazin-2-ol
CID 642745

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-2H-1,4-benzoxazin-2-ol?
The IUPAC name of 3-(4-bromophenyl)-2H-1,4-benzoxazin-2-ol (CID 71391889) is 3-(4-bromophenyl)-2H-1,4-benzoxazin-2-ol.
What is the SMILES notation for 3-(4-bromophenyl)-2H-1,4-benzoxazin-2-ol?
The canonical SMILES for 3-(4-bromophenyl)-2H-1,4-benzoxazin-2-ol is OC1Oc2ccccc2N=C1c1ccc(Br)cc1.
What is the InChIKey of 3-(4-bromophenyl)-2H-1,4-benzoxazin-2-ol?
The InChIKey is WMKPSAPVBQQSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrNO2/c15-10-7-5-9(6-8-10)13-14(17)18-12-4-2-1-3-11(12)16-13/h1-8,14,17H.
What are the key properties of 3-(4-bromophenyl)-2H-1,4-benzoxazin-2-ol?
3-(4-bromophenyl)-2H-1,4-benzoxazin-2-ol has a molecular weight of 304.14 g/mol, XLogP of 3.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-2H-1,4-benzoxazin-2-ol is sourced from PubChem (CID 71391889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).