ethane;1-ethyl-4-fluoro-5-methoxy-2-methylindole;formic acid

C15H22FNO3 — CID 145147292

IUPACethane;1-ethyl-4-fluoro-5-methoxy-2-methylindole;formic acid
SMILESCC.CCn1c(C)cc2c(F)c(OC)ccc21.O=CO
InChIInChI=1S/C12H14FNO.C2H6.CH2O2/c1-4-14-8(2)7-9-10(14)5-6-11(15-3)12(9)13;1-2;2-1-3/h5-7H,4H2,1-3H3;1-2H3;1H,(H,2,3)
InChIKeyNWLJWZOXDBUVMM-UHFFFAOYSA-N
MW283.34 g/mol
LogP3.84
Rot. Bonds2

About ethane;1-ethyl-4-fluoro-5-methoxy-2-methylindole;formic acid

ethane;1-ethyl-4-fluoro-5-methoxy-2-methylindole;formic acid (PubChem CID 145147292) has the molecular formula C15H22FNO3 and a molecular weight of 283.34 g/mol. Its IUPAC name is ethane;1-ethyl-4-fluoro-5-methoxy-2-methylindole;formic acid.

Molecular Properties

Compound Nameethane;1-ethyl-4-fluoro-5-methoxy-2-methylindole;formic acid
PubChem CID145147292
Molecular FormulaC15H22FNO3
Molecular Weight283.34 g/mol
Exact Mass283.16
IUPAC Nameethane;1-ethyl-4-fluoro-5-methoxy-2-methylindole;formic acid
SMILESCC.CCn1c(C)cc2c(F)c(OC)ccc21.O=CO
InChIInChI=1S/C12H14FNO.C2H6.CH2O2/c1-4-14-8(2)7-9-10(14)5-6-11(15-3)12(9)13;1-2;2-1-3/h5-7H,4H2,1-3H3;1-2H3;1H,(H,2,3)
InChIKeyNWLJWZOXDBUVMM-UHFFFAOYSA-N
XLogP3.84
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-2-methylindole-4-carbaldehyde
CID 117204242
N-(2,5-dimethoxyphenyl)-1-ethyl-2-methyl-4-oxoquinoline-6-carboxamide
CID 42534786
2-(4-methoxy-2-methylindol-1-yl)acetic acid
CID 18735254
ethyl (Z)-4-bromo-3-(2,6-difluoro-3-methoxyphenoxy)but-2-enoate
CID 66895207
4-(4-fluoro-1,2-dimethylindol-5-yl)oxy-6,7-dimethoxyquinazoline;propane
CID 142986375
(9-ethyl-5,6-dimethoxycarbazol-3-yl)methanol
CID 143174374
2-(4-fluoro-7-methoxy-2-methylindol-1-yl)ethanamine
CID 135333176
3-(3-fluoro-2-hydroxy-4-methoxyphenyl)propanal
CID 117287722
6-(1-ethyl-4-fluoro-2-methylindol-5-yl)oxy-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-5-fluoropyrimidin-4-amine
CID 134573335
(1E,4E)-1-(9-ethylcarbazol-3-yl)-5-(3-methoxy-4-methylphenyl)penta-1,4-dien-3-one
CID 58442655
ethyl 2-amino-3-fluoro-4-methoxybenzoate
CID 54595933
N-(3-fluoro-2,4-dimethoxyphenyl)formamide
CID 168651681

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethyl-4-fluoro-5-methoxy-2-methylindole;formic acid?
The IUPAC name of ethane;1-ethyl-4-fluoro-5-methoxy-2-methylindole;formic acid (CID 145147292) is ethane;1-ethyl-4-fluoro-5-methoxy-2-methylindole;formic acid.
What is the SMILES notation for ethane;1-ethyl-4-fluoro-5-methoxy-2-methylindole;formic acid?
The canonical SMILES for ethane;1-ethyl-4-fluoro-5-methoxy-2-methylindole;formic acid is CC.CCn1c(C)cc2c(F)c(OC)ccc21.O=CO.
What is the InChIKey of ethane;1-ethyl-4-fluoro-5-methoxy-2-methylindole;formic acid?
The InChIKey is NWLJWZOXDBUVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO.C2H6.CH2O2/c1-4-14-8(2)7-9-10(14)5-6-11(15-3)12(9)13;1-2;2-1-3/h5-7H,4H2,1-3H3;1-2H3;1H,(H,2,3).
What are the key properties of ethane;1-ethyl-4-fluoro-5-methoxy-2-methylindole;formic acid?
ethane;1-ethyl-4-fluoro-5-methoxy-2-methylindole;formic acid has a molecular weight of 283.34 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethyl-4-fluoro-5-methoxy-2-methylindole;formic acid is sourced from PubChem (CID 145147292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).