2-ethoxy-1,3-dimethyl-5-nitrobenzene

C10H13NO3 — CID 13343824

IUPAC2-ethoxy-1,3-dimethyl-5-nitrobenzene
SMILESCCOc1c(C)cc([N+](=O)[O-])cc1C
InChIInChI=1S/C10H13NO3/c1-4-14-10-7(2)5-9(11(12)13)6-8(10)3/h5-6H,4H2,1-3H3
InChIKeySZCGXJFNMIHJAF-UHFFFAOYSA-N
MW195.22 g/mol
LogP2.61
Rot. Bonds3

About 2-ethoxy-1,3-dimethyl-5-nitrobenzene

2-ethoxy-1,3-dimethyl-5-nitrobenzene (PubChem CID 13343824) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-ethoxy-1,3-dimethyl-5-nitrobenzene.

Molecular Properties

Compound Name2-ethoxy-1,3-dimethyl-5-nitrobenzene
PubChem CID13343824
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name2-ethoxy-1,3-dimethyl-5-nitrobenzene
SMILESCCOc1c(C)cc([N+](=O)[O-])cc1C
InChIInChI=1S/C10H13NO3/c1-4-14-10-7(2)5-9(11(12)13)6-8(10)3/h5-6H,4H2,1-3H3
InChIKeySZCGXJFNMIHJAF-UHFFFAOYSA-N
XLogP2.61
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 52.61
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

2-(2,6-dimethyl-4-nitrophenoxy)acetic acid;ethyl acetate
CID 158548849
3-methyl-5-nitro-2-propoxybenzoic acid
CID 100583197
2-ethoxy-3,5-dinitrobenzonitrile
CID 4527967
25,26,27,28-tetraethoxy-5,17-dinitropentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaene
CID 10532005
5-methyl-7-nitroquinoline
CID 825902
1-fluoro-2-methoxy-3-methyl-5-nitrobenzene
CID 131014124
2,6-dimethyl-4-nitrophenolate
CID 6993803
1-chloro-3-methyl-5-nitro-2-(2,2,2-trifluoroethoxy)benzene
CID 174254443
1-methyl-3,5-dinitro-2-[(4-nitrophenyl)methoxy]benzene
CID 165364462
ethyl 2,3-dimethyl-5-nitrobenzoate
CID 43448981
(2-methyl-4,6-dinitrophenyl) nitrate;platinum(2+)
CID 87198165
3-methyl-5-nitro-2-prop-2-ynoxybenzonitrile
CID 100585113

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1,3-dimethyl-5-nitrobenzene?
The IUPAC name of 2-ethoxy-1,3-dimethyl-5-nitrobenzene (CID 13343824) is 2-ethoxy-1,3-dimethyl-5-nitrobenzene.
What is the SMILES notation for 2-ethoxy-1,3-dimethyl-5-nitrobenzene?
The canonical SMILES for 2-ethoxy-1,3-dimethyl-5-nitrobenzene is CCOc1c(C)cc([N+](=O)[O-])cc1C.
What is the InChIKey of 2-ethoxy-1,3-dimethyl-5-nitrobenzene?
The InChIKey is SZCGXJFNMIHJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-4-14-10-7(2)5-9(11(12)13)6-8(10)3/h5-6H,4H2,1-3H3.
What are the key properties of 2-ethoxy-1,3-dimethyl-5-nitrobenzene?
2-ethoxy-1,3-dimethyl-5-nitrobenzene has a molecular weight of 195.22 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1,3-dimethyl-5-nitrobenzene is sourced from PubChem (CID 13343824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).