4-(7-bromo-2,3-dihydro-1,4-benzoxazin-4-yl)cyclohexan-1-ol

C14H18BrNO2 — CID 58081124

IUPAC4-(7-bromo-2,3-dihydro-1,4-benzoxazin-4-yl)cyclohexan-1-ol
SMILESOC1CCC(N2CCOc3cc(Br)ccc32)CC1
InChIInChI=1S/C14H18BrNO2/c15-10-1-6-13-14(9-10)18-8-7-16(13)11-2-4-12(17)5-3-11/h1,6,9,11-12,17H,2-5,7-8H2
InChIKeyUMNGJODHIFUTBQ-UHFFFAOYSA-N
MW312.21 g/mol
LogP2.95
Rot. Bonds1

About 4-(7-bromo-2,3-dihydro-1,4-benzoxazin-4-yl)cyclohexan-1-ol

4-(7-bromo-2,3-dihydro-1,4-benzoxazin-4-yl)cyclohexan-1-ol (PubChem CID 58081124) has the molecular formula C14H18BrNO2 and a molecular weight of 312.21 g/mol. Its IUPAC name is 4-(7-bromo-2,3-dihydro-1,4-benzoxazin-4-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(7-bromo-2,3-dihydro-1,4-benzoxazin-4-yl)cyclohexan-1-ol
PubChem CID58081124
Molecular FormulaC14H18BrNO2
Molecular Weight312.21 g/mol
Exact Mass311.05
IUPAC Name4-(7-bromo-2,3-dihydro-1,4-benzoxazin-4-yl)cyclohexan-1-ol
SMILESOC1CCC(N2CCOc3cc(Br)ccc32)CC1
InChIInChI=1S/C14H18BrNO2/c15-10-1-6-13-14(9-10)18-8-7-16(13)11-2-4-12(17)5-3-11/h1,6,9,11-12,17H,2-5,7-8H2
InChIKeyUMNGJODHIFUTBQ-UHFFFAOYSA-N
XLogP2.95
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)cyclohexan-1-ol
CID 71231657
4-cyclohexyl-2,3-dihydro-1,4-benzoxazine-7-carboxylic acid
CID 154994787
1-(2-amino-4-bromophenyl)piperidin-4-ol
CID 24695126
[(2R,4R)-4-(7-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)oxolan-2-yl]methanol
CID 164871391
(7-bromo-2,3-dihydro-1,4-benzoxazin-4-yl)-(4-methylphenyl)methanone
CID 84609318
7-bromo-4-pyridin-2-yl-2,3-dihydro-1,4-benzoxazine
CID 134282335
(3aR)-7-bromo-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoline
CID 163673039
1-(8-bromo-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)ethanamine
CID 82247422
5-bromo-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)benzonitrile
CID 114890689
(7-bromo-2,3-dihydro-1,4-benzoxazin-4-yl)-(3-methylphenyl)methanone
CID 84609317
(7-bromo-2,3-dihydro-1,4-benzoxazin-4-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 156776260
8-bromo-4-methyl-2,3-dihydro-1,4-benzoxazepin-5-one
CID 83853392

Frequently Asked Questions

What is the IUPAC name of 4-(7-bromo-2,3-dihydro-1,4-benzoxazin-4-yl)cyclohexan-1-ol?
The IUPAC name of 4-(7-bromo-2,3-dihydro-1,4-benzoxazin-4-yl)cyclohexan-1-ol (CID 58081124) is 4-(7-bromo-2,3-dihydro-1,4-benzoxazin-4-yl)cyclohexan-1-ol.
What is the SMILES notation for 4-(7-bromo-2,3-dihydro-1,4-benzoxazin-4-yl)cyclohexan-1-ol?
The canonical SMILES for 4-(7-bromo-2,3-dihydro-1,4-benzoxazin-4-yl)cyclohexan-1-ol is OC1CCC(N2CCOc3cc(Br)ccc32)CC1.
What is the InChIKey of 4-(7-bromo-2,3-dihydro-1,4-benzoxazin-4-yl)cyclohexan-1-ol?
The InChIKey is UMNGJODHIFUTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO2/c15-10-1-6-13-14(9-10)18-8-7-16(13)11-2-4-12(17)5-3-11/h1,6,9,11-12,17H,2-5,7-8H2.
What are the key properties of 4-(7-bromo-2,3-dihydro-1,4-benzoxazin-4-yl)cyclohexan-1-ol?
4-(7-bromo-2,3-dihydro-1,4-benzoxazin-4-yl)cyclohexan-1-ol has a molecular weight of 312.21 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-bromo-2,3-dihydro-1,4-benzoxazin-4-yl)cyclohexan-1-ol is sourced from PubChem (CID 58081124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).