4-hydroxy-3,4-dihydro-2H-benzo[h]chromene-6-carbonyl azide

C14H11N3O3 — CID 142821860

IUPAC4-hydroxy-3,4-dihydro-2H-benzo[h]chromene-6-carbonyl azide
SMILES[N-]=[N+]=NC(=O)c1cc2c(c3ccccc13)OCCC2O
InChIInChI=1S/C14H11N3O3/c15-17-16-14(19)10-7-11-12(18)5-6-20-13(11)9-4-2-1-3-8(9)10/h1-4,7,12,18H,5-6H2
InChIKeySJJNHRKHPAMRLA-UHFFFAOYSA-N
MW269.26 g/mol
LogP3.11
Rot. Bonds1

About 4-hydroxy-3,4-dihydro-2H-benzo[h]chromene-6-carbonyl azide

4-hydroxy-3,4-dihydro-2H-benzo[h]chromene-6-carbonyl azide (PubChem CID 142821860) has the molecular formula C14H11N3O3 and a molecular weight of 269.26 g/mol. Its IUPAC name is 4-hydroxy-3,4-dihydro-2H-benzo[h]chromene-6-carbonyl azide.

Molecular Properties

Compound Name4-hydroxy-3,4-dihydro-2H-benzo[h]chromene-6-carbonyl azide
PubChem CID142821860
Molecular FormulaC14H11N3O3
Molecular Weight269.26 g/mol
Exact Mass269.08
IUPAC Name4-hydroxy-3,4-dihydro-2H-benzo[h]chromene-6-carbonyl azide
SMILES[N-]=[N+]=NC(=O)c1cc2c(c3ccccc13)OCCC2O
InChIInChI=1S/C14H11N3O3/c15-17-16-14(19)10-7-11-12(18)5-6-20-13(11)9-4-2-1-3-8(9)10/h1-4,7,12,18H,5-6H2
InChIKeySJJNHRKHPAMRLA-UHFFFAOYSA-N
XLogP3.11
TPSA95.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

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(4S)-8-methyl-3,4-dihydro-2H-chromen-4-ol
CID 15420539
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1H-pyrrolo[2,3-b]pyridine-3-carbonyl azide
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3-chloro-1-benzothiophene-2-carbonyl azide
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(5S)-9-chloro-7-phenyl-2,3,4,5-tetrahydro-1-benzoxepin-5-ol
CID 79014332
4-hydroxy-3,4-dihydro-2H-pyrano[2,3-c]pyridine-8-carboxylic acid
CID 167511418
5-bromo-2-methylfuran-3-carbonyl azide
CID 131002370
N-(3,4-difluorophenyl)-4-hydroxy-3,4-dihydro-2H-chromene-8-carboxamide
CID 134348335
(4S)-6,8-ditert-butyl-3,4-dihydro-2H-chromen-4-ol
CID 79014331

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3,4-dihydro-2H-benzo[h]chromene-6-carbonyl azide?
The IUPAC name of 4-hydroxy-3,4-dihydro-2H-benzo[h]chromene-6-carbonyl azide (CID 142821860) is 4-hydroxy-3,4-dihydro-2H-benzo[h]chromene-6-carbonyl azide.
What is the SMILES notation for 4-hydroxy-3,4-dihydro-2H-benzo[h]chromene-6-carbonyl azide?
The canonical SMILES for 4-hydroxy-3,4-dihydro-2H-benzo[h]chromene-6-carbonyl azide is [N-]=[N+]=NC(=O)c1cc2c(c3ccccc13)OCCC2O.
What is the InChIKey of 4-hydroxy-3,4-dihydro-2H-benzo[h]chromene-6-carbonyl azide?
The InChIKey is SJJNHRKHPAMRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3/c15-17-16-14(19)10-7-11-12(18)5-6-20-13(11)9-4-2-1-3-8(9)10/h1-4,7,12,18H,5-6H2.
What are the key properties of 4-hydroxy-3,4-dihydro-2H-benzo[h]chromene-6-carbonyl azide?
4-hydroxy-3,4-dihydro-2H-benzo[h]chromene-6-carbonyl azide has a molecular weight of 269.26 g/mol, XLogP of 3.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3,4-dihydro-2H-benzo[h]chromene-6-carbonyl azide is sourced from PubChem (CID 142821860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).