(5-methoxy-3-methyl-1,2-dihydroindol-3-yl)methanol

C11H15NO2 — CID 102413136

IUPAC(5-methoxy-3-methyl-1,2-dihydroindol-3-yl)methanol
SMILESCOc1ccc2c(c1)C(C)(CO)CN2
InChIInChI=1S/C11H15NO2/c1-11(7-13)6-12-10-4-3-8(14-2)5-9(10)11/h3-5,12-13H,6-7H2,1-2H3
InChIKeySBIWLHOPTCTATQ-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.37
Rot. Bonds2

About (5-methoxy-3-methyl-1,2-dihydroindol-3-yl)methanol

(5-methoxy-3-methyl-1,2-dihydroindol-3-yl)methanol (PubChem CID 102413136) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is (5-methoxy-3-methyl-1,2-dihydroindol-3-yl)methanol.

Molecular Properties

Compound Name(5-methoxy-3-methyl-1,2-dihydroindol-3-yl)methanol
PubChem CID102413136
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name(5-methoxy-3-methyl-1,2-dihydroindol-3-yl)methanol
SMILESCOc1ccc2c(c1)C(C)(CO)CN2
InChIInChI=1S/C11H15NO2/c1-11(7-13)6-12-10-4-3-8(14-2)5-9(10)11/h3-5,12-13H,6-7H2,1-2H3
InChIKeySBIWLHOPTCTATQ-UHFFFAOYSA-N
XLogP1.37
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.37
H-Bond Donors ≤ 52
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

Eseridine
CID 65719
Physovenine
CID 442113
5-methoxy-2,3-dihydro-1H-indole
CID 10701974
Physovenine Carbamate 21a
CID 11482774
(3aS)-3a,8-dimethyl-2H,3H,3aH,8H,8aH-furo(2,3-b)indol-5-yl N-methylcarbamate
CID 23644658
5-(3-piperidin-1-ylpropoxy)-2,3-dihydro-1H-indole
CID 11724369
n,n-Dimethyl 2-(5-methoxy-2,3-dihydro-1h-indol-3-yl)ethylamine
CID 11806221
Physovenine Carbamate 20b
CID 23645288
[(3aR,8bR)-4,8b-dimethyl-2,3a-dihydro-1H-furo[2,3-b]indol-7-yl] N-methylcarbamate
CID 12314224
[(3aS,8bS)-4,8b-dimethyl-2,3a-dihydro-1H-furo[2,3-b]indol-7-yl] N-ethylcarbamate
CID 44409456
[(4aS)-2,4a,9-trimethyl-4,9a-dihydro-3H-oxazino[6,5-b]indol-6-yl] N-methylcarbamate
CID 20054908
3-(5-Methoxy-2,3-dihydroindol-1-yl)propan-1-ol;hydrochloride
CID 130247631

Frequently Asked Questions

What is the IUPAC name of (5-methoxy-3-methyl-1,2-dihydroindol-3-yl)methanol?
The IUPAC name of (5-methoxy-3-methyl-1,2-dihydroindol-3-yl)methanol (CID 102413136) is (5-methoxy-3-methyl-1,2-dihydroindol-3-yl)methanol.
What is the SMILES notation for (5-methoxy-3-methyl-1,2-dihydroindol-3-yl)methanol?
The canonical SMILES for (5-methoxy-3-methyl-1,2-dihydroindol-3-yl)methanol is COc1ccc2c(c1)C(C)(CO)CN2.
What is the InChIKey of (5-methoxy-3-methyl-1,2-dihydroindol-3-yl)methanol?
The InChIKey is SBIWLHOPTCTATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-11(7-13)6-12-10-4-3-8(14-2)5-9(10)11/h3-5,12-13H,6-7H2,1-2H3.
What are the key properties of (5-methoxy-3-methyl-1,2-dihydroindol-3-yl)methanol?
(5-methoxy-3-methyl-1,2-dihydroindol-3-yl)methanol has a molecular weight of 193.25 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-3-methyl-1,2-dihydroindol-3-yl)methanol is sourced from PubChem (CID 102413136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).