2-(3-methyl-2,3-dihydro-1H-indol-4-yl)propan-2-ol

C12H17NO — CID 117203039

IUPAC2-(3-methyl-2,3-dihydro-1H-indol-4-yl)propan-2-ol
SMILESCC1CNc2cccc(C(C)(C)O)c21
InChIInChI=1S/C12H17NO/c1-8-7-13-10-6-4-5-9(11(8)10)12(2,3)14/h4-6,8,13-14H,7H2,1-3H3
InChIKeyYXFRJLRWLKVLQV-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.44
Rot. Bonds1

About 2-(3-methyl-2,3-dihydro-1H-indol-4-yl)propan-2-ol

2-(3-methyl-2,3-dihydro-1H-indol-4-yl)propan-2-ol (PubChem CID 117203039) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-(3-methyl-2,3-dihydro-1H-indol-4-yl)propan-2-ol.

Molecular Properties

Compound Name2-(3-methyl-2,3-dihydro-1H-indol-4-yl)propan-2-ol
PubChem CID117203039
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name2-(3-methyl-2,3-dihydro-1H-indol-4-yl)propan-2-ol
SMILESCC1CNc2cccc(C(C)(C)O)c21
InChIInChI=1S/C12H17NO/c1-8-7-13-10-6-4-5-9(11(8)10)12(2,3)14/h4-6,8,13-14H,7H2,1-3H3
InChIKeyYXFRJLRWLKVLQV-UHFFFAOYSA-N
XLogP2.44
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,6-dimethyl-2,3-dihydro-1H-benzo[e]indole
CID 163282273
N,N,1-trimethyl-2,3-dihydro-1H-benzo[e]indol-6-amine
CID 163282267
1-(4-fluoro-2,3-dihydro-1H-indol-3-yl)-2-methylpropan-2-ol
CID 117199925
2-(2,3,4,5-tetrahydro-1H-1-benzazepin-6-yl)propan-2-ol
CID 84673552
3-[[2-hydroxy-3-[(3-methyl-2,3-dihydro-1H-indol-4-yl)oxy]propyl]amino]-2,2-dimethylpropan-1-ol
CID 56638172
4-(2-hydroxypropan-2-yl)-1,3-dihydroindol-2-one
CID 117282361
3-methyl-6-propan-2-yl-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-one
CID 84623047
7-(trifluoromethyl)-1a,2,3,7b-tetrahydro-1H-cyclopropa[c]quinoline
CID 105466528
8-chloro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 75355763
(2S)-8-chloro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 94975646
3-methyl-2,3-dihydro-1H-quinolin-4-one
CID 14714861
2-(2-methyl-1-propan-2-yl-2,3-dihydroindol-7-yl)propan-2-ol
CID 117203904

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2,3-dihydro-1H-indol-4-yl)propan-2-ol?
The IUPAC name of 2-(3-methyl-2,3-dihydro-1H-indol-4-yl)propan-2-ol (CID 117203039) is 2-(3-methyl-2,3-dihydro-1H-indol-4-yl)propan-2-ol.
What is the SMILES notation for 2-(3-methyl-2,3-dihydro-1H-indol-4-yl)propan-2-ol?
The canonical SMILES for 2-(3-methyl-2,3-dihydro-1H-indol-4-yl)propan-2-ol is CC1CNc2cccc(C(C)(C)O)c21.
What is the InChIKey of 2-(3-methyl-2,3-dihydro-1H-indol-4-yl)propan-2-ol?
The InChIKey is YXFRJLRWLKVLQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-8-7-13-10-6-4-5-9(11(8)10)12(2,3)14/h4-6,8,13-14H,7H2,1-3H3.
What are the key properties of 2-(3-methyl-2,3-dihydro-1H-indol-4-yl)propan-2-ol?
2-(3-methyl-2,3-dihydro-1H-indol-4-yl)propan-2-ol has a molecular weight of 191.27 g/mol, XLogP of 2.44, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2,3-dihydro-1H-indol-4-yl)propan-2-ol is sourced from PubChem (CID 117203039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).