[(2S)-4-methoxy-2,3-dihydro-1H-indol-2-yl]methanol

C10H13NO2 — CID 130665549

IUPAC[(2S)-4-methoxy-2,3-dihydro-1H-indol-2-yl]methanol
SMILESCOc1cccc2c1C[C@@H](CO)N2
InChIInChI=1S/C10H13NO2/c1-13-10-4-2-3-9-8(10)5-7(6-12)11-9/h2-4,7,11-12H,5-6H2,1H3/t7-/m0/s1
InChIKeyFXMHXEXGMCPRPQ-ZETCQYMHSA-N
MW179.22 g/mol
LogP1.02
Rot. Bonds2

About [(2S)-4-methoxy-2,3-dihydro-1H-indol-2-yl]methanol

[(2S)-4-methoxy-2,3-dihydro-1H-indol-2-yl]methanol (PubChem CID 130665549) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is [(2S)-4-methoxy-2,3-dihydro-1H-indol-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-4-methoxy-2,3-dihydro-1H-indol-2-yl]methanol
PubChem CID130665549
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name[(2S)-4-methoxy-2,3-dihydro-1H-indol-2-yl]methanol
SMILESCOc1cccc2c1C[C@@H](CO)N2
InChIInChI=1S/C10H13NO2/c1-13-10-4-2-3-9-8(10)5-7(6-12)11-9/h2-4,7,11-12H,5-6H2,1H3/t7-/m0/s1
InChIKeyFXMHXEXGMCPRPQ-ZETCQYMHSA-N
XLogP1.02
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-3-[(5-methoxy-1,2,3,4-tetrahydroquinolin-2-yl)methyl]urea
CID 122188226
2-(5-methoxy-1-oxo-3,4-dihydro-2H-isoquinolin-3-yl)acetic acid
CID 84628079
(5-ethyl-1,2,3,4-tetrahydroquinolin-2-yl)methanol
CID 130040422
5-methoxy-2,2,3-trimethyl-3,4-dihydro-1H-quinoline
CID 117193828
[(2S)-5-ethyl-1,2,3,4-tetrahydroquinolin-2-yl]methanol
CID 130701482
N,N-diethyl-5-methoxy-1,2,3,4-tetrahydroquinolin-3-amine
CID 105495080
[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methanol
CID 10535755
[(3S)-5-methoxy-3,4-dihydro-2H-chromen-3-yl]methanol
CID 71713222
[(3R)-5-methoxy-3,4-dihydro-2H-chromen-3-yl]methanol
CID 130660382
methyl 2-propyl-2,3-dihydro-1H-indole-4-carboxylate
CID 118050194
(5-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methanol
CID 15933736
[(2R)-7-methoxy-1,2,3,4-tetrahydroquinolin-2-yl]methanol
CID 130625960

Frequently Asked Questions

What is the IUPAC name of [(2S)-4-methoxy-2,3-dihydro-1H-indol-2-yl]methanol?
The IUPAC name of [(2S)-4-methoxy-2,3-dihydro-1H-indol-2-yl]methanol (CID 130665549) is [(2S)-4-methoxy-2,3-dihydro-1H-indol-2-yl]methanol.
What is the SMILES notation for [(2S)-4-methoxy-2,3-dihydro-1H-indol-2-yl]methanol?
The canonical SMILES for [(2S)-4-methoxy-2,3-dihydro-1H-indol-2-yl]methanol is COc1cccc2c1C[C@@H](CO)N2.
What is the InChIKey of [(2S)-4-methoxy-2,3-dihydro-1H-indol-2-yl]methanol?
The InChIKey is FXMHXEXGMCPRPQ-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H13NO2/c1-13-10-4-2-3-9-8(10)5-7(6-12)11-9/h2-4,7,11-12H,5-6H2,1H3/t7-/m0/s1.
What are the key properties of [(2S)-4-methoxy-2,3-dihydro-1H-indol-2-yl]methanol?
[(2S)-4-methoxy-2,3-dihydro-1H-indol-2-yl]methanol has a molecular weight of 179.22 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-4-methoxy-2,3-dihydro-1H-indol-2-yl]methanol is sourced from PubChem (CID 130665549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).