10-(4-octoxyphenyl)phenoxazine

C26H29NO2 — CID 58274116

IUPAC10-(4-octoxyphenyl)phenoxazine
SMILESCCCCCCCCOc1ccc(N2c3ccccc3Oc3ccccc32)cc1
InChIInChI=1S/C26H29NO2/c1-2-3-4-5-6-11-20-28-22-18-16-21(17-19-22)27-23-12-7-9-14-25(23)29-26-15-10-8-13-24(26)27/h7-10,12-19H,2-6,11,20H2,1H3
InChIKeyWCRRTRSWHSMUJN-UHFFFAOYSA-N
MW387.52 g/mol
LogP8.00
Rot. Bonds9

About 10-(4-octoxyphenyl)phenoxazine

10-(4-octoxyphenyl)phenoxazine (PubChem CID 58274116) has the molecular formula C26H29NO2 and a molecular weight of 387.52 g/mol. Its IUPAC name is 10-(4-octoxyphenyl)phenoxazine.

Molecular Properties

Compound Name10-(4-octoxyphenyl)phenoxazine
PubChem CID58274116
Molecular FormulaC26H29NO2
Molecular Weight387.52 g/mol
Exact Mass387.22
IUPAC Name10-(4-octoxyphenyl)phenoxazine
SMILESCCCCCCCCOc1ccc(N2c3ccccc3Oc3ccccc32)cc1
InChIInChI=1S/C26H29NO2/c1-2-3-4-5-6-11-20-28-22-18-16-21(17-19-22)27-23-12-7-9-14-25(23)29-26-15-10-8-13-24(26)27/h7-10,12-19H,2-6,11,20H2,1H3
InChIKeyWCRRTRSWHSMUJN-UHFFFAOYSA-N
XLogP8.00
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.52
LogP ≤ 58.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

10-[4-[4-[6-(4-propylphenoxy)hexoxy]phenyl]sulfonylphenyl]phenoxazine
CID 155187509
10-[4-(2-ethylhexoxy)phenyl]phenoxazine
CID 59130069
10-[4-[4-[6-(4-butan-2-ylphenoxy)hexoxy]phenyl]sulfonylphenyl]phenoxazine
CID 155187506
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
2,7-bis[4-(3,7-dihexoxyphenoxazin-10-yl)phenyl]fluoren-9-one
CID 171056051
5-[3-[3,5-bis(4-octoxy-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-yl)phenyl]-5-(4-octoxy-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-yl)phenyl]-4-octoxy-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene
CID 132605254
1-(4-phenoxazin-10-ylphenyl)pentan-1-one
CID 140927761
pentoxybenzene;undecane
CID 174778179
3-[10-[10-(6-heptoxynaphthalen-2-yl)anthracen-9-yl]phenoxazin-3-yl]-10-[10-(6-hexoxynaphthalen-2-yl)anthracen-9-yl]phenoxazine
CID 58676162
1,4-dipentoxybenzene
CID 18314717
3-bromo-10-[4-(2-ethylhexoxy)phenyl]phenoxazine;10-[4-(2-ethylhexoxy)phenyl]-3-[10-[4-(2-ethylhexoxy)phenyl]phenoxazin-3-yl]phenoxazine
CID 157069986

Frequently Asked Questions

What is the IUPAC name of 10-(4-octoxyphenyl)phenoxazine?
The IUPAC name of 10-(4-octoxyphenyl)phenoxazine (CID 58274116) is 10-(4-octoxyphenyl)phenoxazine.
What is the SMILES notation for 10-(4-octoxyphenyl)phenoxazine?
The canonical SMILES for 10-(4-octoxyphenyl)phenoxazine is CCCCCCCCOc1ccc(N2c3ccccc3Oc3ccccc32)cc1.
What is the InChIKey of 10-(4-octoxyphenyl)phenoxazine?
The InChIKey is WCRRTRSWHSMUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO2/c1-2-3-4-5-6-11-20-28-22-18-16-21(17-19-22)27-23-12-7-9-14-25(23)29-26-15-10-8-13-24(26)27/h7-10,12-19H,2-6,11,20H2,1H3.
What are the key properties of 10-(4-octoxyphenyl)phenoxazine?
10-(4-octoxyphenyl)phenoxazine has a molecular weight of 387.52 g/mol, XLogP of 8.00, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-octoxyphenyl)phenoxazine is sourced from PubChem (CID 58274116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).