9-hydroxy-1-methyl-10-nitrobenzo[f]chromen-3-one

C14H9NO5 — CID 139226524

IUPAC9-hydroxy-1-methyl-10-nitrobenzo[f]chromen-3-one
SMILESCc1cc(=O)oc2ccc3ccc(O)c([N+](=O)[O-])c3c12
InChIInChI=1S/C14H9NO5/c1-7-6-11(17)20-10-5-3-8-2-4-9(16)14(15(18)19)13(8)12(7)10/h2-6,16H,1H3
InChIKeyIFLNOELMKVSIEG-UHFFFAOYSA-N
MW271.23 g/mol
LogP2.87
Rot. Bonds1

About 9-hydroxy-1-methyl-10-nitrobenzo[f]chromen-3-one

9-hydroxy-1-methyl-10-nitrobenzo[f]chromen-3-one (PubChem CID 139226524) has the molecular formula C14H9NO5 and a molecular weight of 271.23 g/mol. Its IUPAC name is 9-hydroxy-1-methyl-10-nitrobenzo[f]chromen-3-one.

Molecular Properties

Compound Name9-hydroxy-1-methyl-10-nitrobenzo[f]chromen-3-one
PubChem CID139226524
Molecular FormulaC14H9NO5
Molecular Weight271.23 g/mol
Exact Mass271.05
IUPAC Name9-hydroxy-1-methyl-10-nitrobenzo[f]chromen-3-one
SMILESCc1cc(=O)oc2ccc3ccc(O)c([N+](=O)[O-])c3c12
InChIInChI=1S/C14H9NO5/c1-7-6-11(17)20-10-5-3-8-2-4-9(16)14(15(18)19)13(8)12(7)10/h2-6,16H,1H3
InChIKeyIFLNOELMKVSIEG-UHFFFAOYSA-N
XLogP2.87
TPSA93.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.23
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

7-Hydroxy-4-methyl-8-nitrocoumarin
CID 5376327
8-Hydroxy-4-methyl-9-nitrobenzo(g)chromen-2-one
CID 44456889
7-Methoxy-1-nitrosonaphthalen-2-ol
CID 2833080
2,2-Dimethyl-6-nitroso-3,4-dihydrobenzo[h]chromen-5-ol
CID 315169
7-hydroxy-4,8-dimethyl-6-nitro-2H-chromen-2-one
CID 5291935
10-Nitroso-2-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-11-ol
CID 56679742
7-Hydroxy-4,5-dimethyl-8-nitrosocoumarin
CID 85701655
(7-Hydroxy-8-nitronaphthalen-2-yl) acetate
CID 101565851
4-(4-Methyl-2-nitro-phenoxymethyl)-2h-benzo [h]chromen-2-one
CID 129713017
Acetoxynitropyrene
CID 129720122
13-(4-Hydroxy-3-nitrophenyl)-2,10-dioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,15,17,19,21-nonaen-11-one
CID 139220239
Benz(a)anthracen-11-ol, 7-nitro-, acetate (ester)
CID 147336

Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-1-methyl-10-nitrobenzo[f]chromen-3-one?
The IUPAC name of 9-hydroxy-1-methyl-10-nitrobenzo[f]chromen-3-one (CID 139226524) is 9-hydroxy-1-methyl-10-nitrobenzo[f]chromen-3-one.
What is the SMILES notation for 9-hydroxy-1-methyl-10-nitrobenzo[f]chromen-3-one?
The canonical SMILES for 9-hydroxy-1-methyl-10-nitrobenzo[f]chromen-3-one is Cc1cc(=O)oc2ccc3ccc(O)c([N+](=O)[O-])c3c12.
What is the InChIKey of 9-hydroxy-1-methyl-10-nitrobenzo[f]chromen-3-one?
The InChIKey is IFLNOELMKVSIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO5/c1-7-6-11(17)20-10-5-3-8-2-4-9(16)14(15(18)19)13(8)12(7)10/h2-6,16H,1H3.
What are the key properties of 9-hydroxy-1-methyl-10-nitrobenzo[f]chromen-3-one?
9-hydroxy-1-methyl-10-nitrobenzo[f]chromen-3-one has a molecular weight of 271.23 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-1-methyl-10-nitrobenzo[f]chromen-3-one is sourced from PubChem (CID 139226524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).