ethane;10-hexylphenoxazine

C20H27NO — CID 143421722

IUPACethane;10-hexylphenoxazine
SMILESCC.CCCCCCN1c2ccccc2Oc2ccccc21
InChIInChI=1S/C18H21NO.C2H6/c1-2-3-4-9-14-19-15-10-5-7-12-17(15)20-18-13-8-6-11-16(18)19;1-2/h5-8,10-13H,2-4,9,14H2,1H3;1-2H3
InChIKeyIHXKFVHXRHJBBX-UHFFFAOYSA-N
MW297.44 g/mol
LogP6.54
Rot. Bonds5

About ethane;10-hexylphenoxazine

ethane;10-hexylphenoxazine (PubChem CID 143421722) has the molecular formula C20H27NO and a molecular weight of 297.44 g/mol. Its IUPAC name is ethane;10-hexylphenoxazine.

Molecular Properties

Compound Nameethane;10-hexylphenoxazine
PubChem CID143421722
Molecular FormulaC20H27NO
Molecular Weight297.44 g/mol
Exact Mass297.21
IUPAC Nameethane;10-hexylphenoxazine
SMILESCC.CCCCCCN1c2ccccc2Oc2ccccc21
InChIInChI=1S/C18H21NO.C2H6/c1-2-3-4-9-14-19-15-10-5-7-12-17(15)20-18-13-8-6-11-16(18)19;1-2/h5-8,10-13H,2-4,9,14H2,1H3;1-2H3
InChIKeyIHXKFVHXRHJBBX-UHFFFAOYSA-N
XLogP6.54
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.44
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_666_B(3)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-methyl-10-octadecylphenazine
CID 10813380
2-methylidene-1,3-dioctylbenzimidazole
CID 168986251
N-(6-phenoxazin-10-ylhexyl)-N-phenylaniline
CID 54754280
3,7-dibromo-10-hexylphenoxazine
CID 86076992
4-hexyl-2-propyl-1,4-benzoxazin-3-one
CID 71156433
2-methyl-4-pentyl-1,4-benzoxazin-3-one
CID 117007341
5-pentyl-6H-benzo[b][1,4]benzoxazepine
CID 67833810
4-(2-chlorophenoxazin-10-yl)-N,N-diethylbutan-1-amine;hydrochloride
CID 16760284
10-[3-(4-methylpiperazin-1-yl)propyl]phenoxazine
CID 59372977
22-butyl-8,14-dioxa-22-aza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene
CID 171591053
10-(4-octoxyphenyl)phenoxazine
CID 58274116
7,14-dioctadecylquinoxalino[2,3-b]phenazine
CID 86291587

Frequently Asked Questions

What is the IUPAC name of ethane;10-hexylphenoxazine?
The IUPAC name of ethane;10-hexylphenoxazine (CID 143421722) is ethane;10-hexylphenoxazine.
What is the SMILES notation for ethane;10-hexylphenoxazine?
The canonical SMILES for ethane;10-hexylphenoxazine is CC.CCCCCCN1c2ccccc2Oc2ccccc21.
What is the InChIKey of ethane;10-hexylphenoxazine?
The InChIKey is IHXKFVHXRHJBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO.C2H6/c1-2-3-4-9-14-19-15-10-5-7-12-17(15)20-18-13-8-6-11-16(18)19;1-2/h5-8,10-13H,2-4,9,14H2,1H3;1-2H3.
What are the key properties of ethane;10-hexylphenoxazine?
ethane;10-hexylphenoxazine has a molecular weight of 297.44 g/mol, XLogP of 6.54, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;10-hexylphenoxazine is sourced from PubChem (CID 143421722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).