9-chloro-6,6a,7,12a-tetrahydro-5H-benzo[c]phenoxazine

C16H14ClNO — CID 115825529

IUPAC9-chloro-6,6a,7,12a-tetrahydro-5H-benzo[c]phenoxazine
SMILESClc1ccc2c(c1)NC1CCc3ccccc3C1O2
InChIInChI=1S/C16H14ClNO/c17-11-6-8-15-14(9-11)18-13-7-5-10-3-1-2-4-12(10)16(13)19-15/h1-4,6,8-9,13,16,18H,5,7H2
InChIKeyJFWUGMCDZVGCDG-UHFFFAOYSA-N
MW271.75 g/mol
LogP4.20
Rot. Bonds

About 9-chloro-6,6a,7,12a-tetrahydro-5H-benzo[c]phenoxazine

9-chloro-6,6a,7,12a-tetrahydro-5H-benzo[c]phenoxazine (PubChem CID 115825529) has the molecular formula C16H14ClNO and a molecular weight of 271.75 g/mol. Its IUPAC name is 9-chloro-6,6a,7,12a-tetrahydro-5H-benzo[c]phenoxazine.

Molecular Properties

Compound Name9-chloro-6,6a,7,12a-tetrahydro-5H-benzo[c]phenoxazine
PubChem CID115825529
Molecular FormulaC16H14ClNO
Molecular Weight271.75 g/mol
Exact Mass271.08
IUPAC Name9-chloro-6,6a,7,12a-tetrahydro-5H-benzo[c]phenoxazine
SMILESClc1ccc2c(c1)NC1CCc3ccccc3C1O2
InChIInChI=1S/C16H14ClNO/c17-11-6-8-15-14(9-11)18-13-7-5-10-3-1-2-4-12(10)16(13)19-15/h1-4,6,8-9,13,16,18H,5,7H2
InChIKeyJFWUGMCDZVGCDG-UHFFFAOYSA-N
XLogP4.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-5-chloro-2-(2-chlorophenyl)-2,3-dihydro-1,3-benzoxazole
CID 6929834
8-chloro-1,3,4,4a,10,10a-hexahydropyrano[4,3-b][1,4]benzoxazine
CID 115825530
8-chloro-2-propyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine
CID 115825541
5-chloro-N-piperidin-4-yl-2,3-dihydro-1,3-benzoxazol-2-amine
CID 143288801
6-chloro-2-phenyl-3,4-dihydro-2H-chromene
CID 13250352
6-chloro-3-(1-methylpiperidin-4-yl)-3,4-dihydro-2H-1,4-benzoxazine
CID 116837716
(4bR,10aS)-2,8-dichloro-4b,10,10a,11-tetrahydroindeno[1,2-b]chromene
CID 22826681
6-chloro-2-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene
CID 142258016
N-cyclopropyl-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 94812762
2-(1,3-benzodioxol-5-yl)-5-chloro-2,3-dihydro-1,3-benzoxazole
CID 2806671
(2S,6S)-9-chloro-13-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7(12),8,10,14,16-hexaene
CID 44568616
2-methoxy-8-methyl-6,6a,7,12a-tetrahydro-5H-benzo[c]phenoxazine
CID 114287478

Frequently Asked Questions

What is the IUPAC name of 9-chloro-6,6a,7,12a-tetrahydro-5H-benzo[c]phenoxazine?
The IUPAC name of 9-chloro-6,6a,7,12a-tetrahydro-5H-benzo[c]phenoxazine (CID 115825529) is 9-chloro-6,6a,7,12a-tetrahydro-5H-benzo[c]phenoxazine.
What is the SMILES notation for 9-chloro-6,6a,7,12a-tetrahydro-5H-benzo[c]phenoxazine?
The canonical SMILES for 9-chloro-6,6a,7,12a-tetrahydro-5H-benzo[c]phenoxazine is Clc1ccc2c(c1)NC1CCc3ccccc3C1O2.
What is the InChIKey of 9-chloro-6,6a,7,12a-tetrahydro-5H-benzo[c]phenoxazine?
The InChIKey is JFWUGMCDZVGCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO/c17-11-6-8-15-14(9-11)18-13-7-5-10-3-1-2-4-12(10)16(13)19-15/h1-4,6,8-9,13,16,18H,5,7H2.
What are the key properties of 9-chloro-6,6a,7,12a-tetrahydro-5H-benzo[c]phenoxazine?
9-chloro-6,6a,7,12a-tetrahydro-5H-benzo[c]phenoxazine has a molecular weight of 271.75 g/mol, XLogP of 4.20, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-6,6a,7,12a-tetrahydro-5H-benzo[c]phenoxazine is sourced from PubChem (CID 115825529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).