(3-fluoro-5-methoxy-1-methyl-2H-indol-3-yl)methanol

C11H14FNO2 — CID 162342798

IUPAC(3-fluoro-5-methoxy-1-methyl-2H-indol-3-yl)methanol
SMILESCOc1ccc2c(c1)C(F)(CO)CN2C
InChIInChI=1S/C11H14FNO2/c1-13-6-11(12,7-14)9-5-8(15-2)3-4-10(9)13/h3-5,14H,6-7H2,1-2H3
InChIKeyLXAHDEHGHMYVCZ-UHFFFAOYSA-N
MW211.24 g/mol
LogP1.30
Rot. Bonds2

About (3-fluoro-5-methoxy-1-methyl-2H-indol-3-yl)methanol

(3-fluoro-5-methoxy-1-methyl-2H-indol-3-yl)methanol (PubChem CID 162342798) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is (3-fluoro-5-methoxy-1-methyl-2H-indol-3-yl)methanol.

Molecular Properties

Compound Name(3-fluoro-5-methoxy-1-methyl-2H-indol-3-yl)methanol
PubChem CID162342798
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Name(3-fluoro-5-methoxy-1-methyl-2H-indol-3-yl)methanol
SMILESCOc1ccc2c(c1)C(F)(CO)CN2C
InChIInChI=1S/C11H14FNO2/c1-13-6-11(12,7-14)9-5-8(15-2)3-4-10(9)13/h3-5,14H,6-7H2,1-2H3
InChIKeyLXAHDEHGHMYVCZ-UHFFFAOYSA-N
XLogP1.30
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

5-methoxy-2,3-dihydro-1H-indole
CID 10701974
n,n-Dimethyl 2-(5-methoxy-2,3-dihydro-1h-indol-3-yl)ethylamine
CID 11806221
Methyl 3-(5-methoxy-2,3-dihydroindol-1-yl)propanoate;hydrochloride
CID 130247458
3-(5-Methoxy-2,3-dihydroindol-1-yl)propan-1-ol;hydrochloride
CID 130247631
1-acetyl-5-(methyloxy)-2,3-dihydro-1H-indole
CID 12626091
5-Methoxy-2-methyl-2,3-dihydro-1H-indole
CID 10797090
5-methoxy-2,3-dihydro-1H-indole hydrochloride
CID 20035668
3,3-dimethyl-5-(trifluoromethoxy)-2,3-dihydro-1H-indole
CID 106701664
3-(5-Methoxy-2,3-dihydroindol-1-yl)propanoic acid
CID 83755617
(2R)-3-[3-benzyl-5-(trifluoromethoxy)-3-[3-(trifluoromethoxy)phenyl]-2H-indol-1-yl]-1,1,1-trifluoropropan-2-ol
CID 127048562
(2R)-1,1,1-trifluoro-3-[3-phenyl-5-(trifluoromethoxy)-3-[[3-(trifluoromethoxy)phenyl]methyl]-2H-indol-1-yl]propan-2-ol
CID 127048897
(2R)-1,1,1-trifluoro-3-[3-methyl-3-[[3-(trifluoromethoxy)phenyl]methyl]-2H-indol-1-yl]propan-2-ol
CID 127049872

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-5-methoxy-1-methyl-2H-indol-3-yl)methanol?
The IUPAC name of (3-fluoro-5-methoxy-1-methyl-2H-indol-3-yl)methanol (CID 162342798) is (3-fluoro-5-methoxy-1-methyl-2H-indol-3-yl)methanol.
What is the SMILES notation for (3-fluoro-5-methoxy-1-methyl-2H-indol-3-yl)methanol?
The canonical SMILES for (3-fluoro-5-methoxy-1-methyl-2H-indol-3-yl)methanol is COc1ccc2c(c1)C(F)(CO)CN2C.
What is the InChIKey of (3-fluoro-5-methoxy-1-methyl-2H-indol-3-yl)methanol?
The InChIKey is LXAHDEHGHMYVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2/c1-13-6-11(12,7-14)9-5-8(15-2)3-4-10(9)13/h3-5,14H,6-7H2,1-2H3.
What are the key properties of (3-fluoro-5-methoxy-1-methyl-2H-indol-3-yl)methanol?
(3-fluoro-5-methoxy-1-methyl-2H-indol-3-yl)methanol has a molecular weight of 211.24 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-5-methoxy-1-methyl-2H-indol-3-yl)methanol is sourced from PubChem (CID 162342798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).