9-methoxy-2-nitro-2,3-dihydro-1H-benzo[f]chromene

C14H13NO4 — CID 130392024

IUPAC9-methoxy-2-nitro-2,3-dihydro-1H-benzo[f]chromene
SMILESCOc1ccc2ccc3c(c2c1)CC([N+](=O)[O-])CO3
InChIInChI=1S/C14H13NO4/c1-18-11-4-2-9-3-5-14-13(12(9)7-11)6-10(8-19-14)15(16)17/h2-5,7,10H,6,8H2,1H3
InChIKeyOSLIMCCKESZJRA-UHFFFAOYSA-N
MW259.26 g/mol
LogP2.43
Rot. Bonds2

About 9-methoxy-2-nitro-2,3-dihydro-1H-benzo[f]chromene

9-methoxy-2-nitro-2,3-dihydro-1H-benzo[f]chromene (PubChem CID 130392024) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is 9-methoxy-2-nitro-2,3-dihydro-1H-benzo[f]chromene.

Molecular Properties

Compound Name9-methoxy-2-nitro-2,3-dihydro-1H-benzo[f]chromene
PubChem CID130392024
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Name9-methoxy-2-nitro-2,3-dihydro-1H-benzo[f]chromene
SMILESCOc1ccc2ccc3c(c2c1)CC([N+](=O)[O-])CO3
InChIInChI=1S/C14H13NO4/c1-18-11-4-2-9-3-5-14-13(12(9)7-11)6-10(8-19-14)15(16)17/h2-5,7,10H,6,8H2,1H3
InChIKeyOSLIMCCKESZJRA-UHFFFAOYSA-N
XLogP2.43
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 9-methoxy-2-nitro-2,3-dihydro-1H-benzo[f]chromene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(9-methoxy-2,3-dihydro-1H-benzo[f]chromen-2-yl)-N-methylacetamide
CID 139911038
6-methoxy-3-nitro-4-(trichloromethyl)-3,4-dihydro-2H-chromene
CID 121221211
5,23-dimethoxy-14-(4-methylcyclohexyl)-12,16-dioxapentacyclo[15.8.0.02,11.03,8.020,25]pentacosa-1(17),2(11),3(8),4,6,9,18,20(25),21,23-decaene
CID 145288819
8,9-dimethoxy-3-methyl-2-nitro-2,3-dihydro-1H-benzo[f]chromene
CID 145071214
6-fluoro-3-nitro-3,4-dihydro-2H-chromene
CID 55268431
3-(4-fluorophenyl)-9-methoxy-2,3-dihydro-1H-benzo[f]chromen-2-amine
CID 130391958
(3S)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxylic acid
CID 7061285
3-(3-fluorophenyl)-9-methoxy-2,3-dihydro-1H-benzo[f]chromen-2-amine
CID 166887924
6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 47170033
6-methoxy-N-propyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578230
5-methoxy-3-methyl-2,3-dihydro-1-benzofuran
CID 102492939
(3R)-6-methoxy-3,4-dihydro-2H-chromene-3-carbaldehyde
CID 92669931

Frequently Asked Questions

What is the IUPAC name of 9-methoxy-2-nitro-2,3-dihydro-1H-benzo[f]chromene?
The IUPAC name of 9-methoxy-2-nitro-2,3-dihydro-1H-benzo[f]chromene (CID 130392024) is 9-methoxy-2-nitro-2,3-dihydro-1H-benzo[f]chromene.
What is the SMILES notation for 9-methoxy-2-nitro-2,3-dihydro-1H-benzo[f]chromene?
The canonical SMILES for 9-methoxy-2-nitro-2,3-dihydro-1H-benzo[f]chromene is COc1ccc2ccc3c(c2c1)CC([N+](=O)[O-])CO3.
What is the InChIKey of 9-methoxy-2-nitro-2,3-dihydro-1H-benzo[f]chromene?
The InChIKey is OSLIMCCKESZJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c1-18-11-4-2-9-3-5-14-13(12(9)7-11)6-10(8-19-14)15(16)17/h2-5,7,10H,6,8H2,1H3.
What are the key properties of 9-methoxy-2-nitro-2,3-dihydro-1H-benzo[f]chromene?
9-methoxy-2-nitro-2,3-dihydro-1H-benzo[f]chromene has a molecular weight of 259.26 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-2-nitro-2,3-dihydro-1H-benzo[f]chromene is sourced from PubChem (CID 130392024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).