2-methoxy-1-nitro-9H-fluorene

C14H11NO3 — CID 159208657

IUPAC2-methoxy-1-nitro-9H-fluorene
SMILESCOc1ccc2c(c1[N+](=O)[O-])Cc1ccccc1-2
InChIInChI=1S/C14H11NO3/c1-18-13-7-6-11-10-5-3-2-4-9(10)8-12(11)14(13)15(16)17/h2-7H,8H2,1H3
InChIKeyRCGPVHWLKXCRPB-UHFFFAOYSA-N
MW241.25 g/mol
LogP3.17
Rot. Bonds2

About 2-methoxy-1-nitro-9H-fluorene

2-methoxy-1-nitro-9H-fluorene (PubChem CID 159208657) has the molecular formula C14H11NO3 and a molecular weight of 241.25 g/mol. Its IUPAC name is 2-methoxy-1-nitro-9H-fluorene.

Molecular Properties

Compound Name2-methoxy-1-nitro-9H-fluorene
PubChem CID159208657
Molecular FormulaC14H11NO3
Molecular Weight241.25 g/mol
Exact Mass241.07
IUPAC Name2-methoxy-1-nitro-9H-fluorene
SMILESCOc1ccc2c(c1[N+](=O)[O-])Cc1ccccc1-2
InChIInChI=1S/C14H11NO3/c1-18-13-7-6-11-10-5-3-2-4-9(10)8-12(11)14(13)15(16)17/h2-7H,8H2,1H3
InChIKeyRCGPVHWLKXCRPB-UHFFFAOYSA-N
XLogP3.17
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2,3-dimethoxyphenyl)-9H-fluorene
CID 150272251
[(6-methoxy-5-nitro-3,4-dihydro-2H-naphthalen-1-ylidene)amino] 2-methoxybenzoate
CID 1366716
1-nitro-9H-indeno[2,1-c]pyridine
CID 154332793
9H-fluorene;oxozirconium
CID 174355249
[(6-methoxy-5-nitro-3,4-dihydro-2H-naphthalen-1-ylidene)amino] benzoate
CID 689993
6-methoxy-5-nitro-1,2,3,4-tetrahydroisoquinoline
CID 59585598
[1-(2-methoxyphenyl)-9H-fluoren-2-yl] prop-2-enoate
CID 174954088
9H-fluoren-1-ylmethyl nitrate
CID 174713486
1-(3-nitrophenyl)-9H-fluorene
CID 150413743
1-(3,5-dimethoxyphenyl)-9H-fluorene
CID 152594732
1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838
3-bromo-2-nitro-1H-indene
CID 170225777

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-nitro-9H-fluorene?
The IUPAC name of 2-methoxy-1-nitro-9H-fluorene (CID 159208657) is 2-methoxy-1-nitro-9H-fluorene.
What is the SMILES notation for 2-methoxy-1-nitro-9H-fluorene?
The canonical SMILES for 2-methoxy-1-nitro-9H-fluorene is COc1ccc2c(c1[N+](=O)[O-])Cc1ccccc1-2.
What is the InChIKey of 2-methoxy-1-nitro-9H-fluorene?
The InChIKey is RCGPVHWLKXCRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO3/c1-18-13-7-6-11-10-5-3-2-4-9(10)8-12(11)14(13)15(16)17/h2-7H,8H2,1H3.
What are the key properties of 2-methoxy-1-nitro-9H-fluorene?
2-methoxy-1-nitro-9H-fluorene has a molecular weight of 241.25 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-nitro-9H-fluorene is sourced from PubChem (CID 159208657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).