2-(2-hydroxyethoxy)-6-[2-(2-hydroxyethyl)tetrazol-5-yl]xanthen-9-one

C18H16N4O5 — CID 10832817

IUPAC2-(2-hydroxyethoxy)-6-[2-(2-hydroxyethyl)tetrazol-5-yl]xanthen-9-one
SMILESO=c1c2ccc(-c3nnn(CCO)n3)cc2oc2ccc(OCCO)cc12
InChIInChI=1S/C18H16N4O5/c23-6-5-22-20-18(19-21-22)11-1-3-13-16(9-11)27-15-4-2-12(26-8-7-24)10-14(15)17(13)25/h1-4,9-10,23-24H,5-8H2
InChIKeyPKJBHPZKHBWAAC-UHFFFAOYSA-N
MW368.35 g/mol
LogP0.96
Rot. Bonds6

About 2-(2-hydroxyethoxy)-6-[2-(2-hydroxyethyl)tetrazol-5-yl]xanthen-9-one

2-(2-hydroxyethoxy)-6-[2-(2-hydroxyethyl)tetrazol-5-yl]xanthen-9-one (PubChem CID 10832817) has the molecular formula C18H16N4O5 and a molecular weight of 368.35 g/mol. Its IUPAC name is 2-(2-hydroxyethoxy)-6-[2-(2-hydroxyethyl)tetrazol-5-yl]xanthen-9-one.

Molecular Properties

Compound Name2-(2-hydroxyethoxy)-6-[2-(2-hydroxyethyl)tetrazol-5-yl]xanthen-9-one
PubChem CID10832817
Molecular FormulaC18H16N4O5
Molecular Weight368.35 g/mol
Exact Mass368.11
IUPAC Name2-(2-hydroxyethoxy)-6-[2-(2-hydroxyethyl)tetrazol-5-yl]xanthen-9-one
SMILESO=c1c2ccc(-c3nnn(CCO)n3)cc2oc2ccc(OCCO)cc12
InChIInChI=1S/C18H16N4O5/c23-6-5-22-20-18(19-21-22)11-1-3-13-16(9-11)27-15-4-2-12(26-8-7-24)10-14(15)17(13)25/h1-4,9-10,23-24H,5-8H2
InChIKeyPKJBHPZKHBWAAC-UHFFFAOYSA-N
XLogP0.96
TPSA123.50 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.35
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

1-[2-[2-[5-(4-Methylphenyl)tetrazol-2-yl]ethoxy]phenyl]ethanone
CID 2550878
2-[5-(3,4-Diethoxy-phenyl)-tetrazol-2-yl]-1-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-ethanone
CID 650134
1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]ethanone
CID 2550922
6-(2-Ethyl-2H-tetrazol-5-yl)-2-hydroxy-xanthen-9-one
CID 10852292
1-(2,5-Dimethoxy-phenyl)-2-[5-(4-ethoxy-phenyl)-tetrazol-2-yl]-ethanone
CID 644397
2-Ethoxy-6(5-tetrazolyl)xanthone
CID 146000
Bwa 440C
CID 3086296
2-(2-Hydroxyethoxy)-6-(2-methyltetrazol-5-yl)xanthen-9-one
CID 10640726
2-Ethoxy-6-(2-ethyltetrazol-5-yl)xanthen-9-one
CID 10783077
9H-Xanthen-9-one, 3-(1H-tetrazol-5-yl)-
CID 10635314
2-Methoxy-6-(2H-tetrazol-5-yl)-9H-xanthen-9-one
CID 19865565
2-[9-oxo-6-(2H-tetrazol-5-yl)xanthen-2-yl]oxyethyl butanoate
CID 19865583

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethoxy)-6-[2-(2-hydroxyethyl)tetrazol-5-yl]xanthen-9-one?
The IUPAC name of 2-(2-hydroxyethoxy)-6-[2-(2-hydroxyethyl)tetrazol-5-yl]xanthen-9-one (CID 10832817) is 2-(2-hydroxyethoxy)-6-[2-(2-hydroxyethyl)tetrazol-5-yl]xanthen-9-one.
What is the SMILES notation for 2-(2-hydroxyethoxy)-6-[2-(2-hydroxyethyl)tetrazol-5-yl]xanthen-9-one?
The canonical SMILES for 2-(2-hydroxyethoxy)-6-[2-(2-hydroxyethyl)tetrazol-5-yl]xanthen-9-one is O=c1c2ccc(-c3nnn(CCO)n3)cc2oc2ccc(OCCO)cc12.
What is the InChIKey of 2-(2-hydroxyethoxy)-6-[2-(2-hydroxyethyl)tetrazol-5-yl]xanthen-9-one?
The InChIKey is PKJBHPZKHBWAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O5/c23-6-5-22-20-18(19-21-22)11-1-3-13-16(9-11)27-15-4-2-12(26-8-7-24)10-14(15)17(13)25/h1-4,9-10,23-24H,5-8H2.
What are the key properties of 2-(2-hydroxyethoxy)-6-[2-(2-hydroxyethyl)tetrazol-5-yl]xanthen-9-one?
2-(2-hydroxyethoxy)-6-[2-(2-hydroxyethyl)tetrazol-5-yl]xanthen-9-one has a molecular weight of 368.35 g/mol, XLogP of 0.96, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethoxy)-6-[2-(2-hydroxyethyl)tetrazol-5-yl]xanthen-9-one is sourced from PubChem (CID 10832817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).