1-(3-methyl-2,3-dihydro-1H-indol-7-yl)propan-2-ol

C12H17NO — CID 117204028

IUPAC1-(3-methyl-2,3-dihydro-1H-indol-7-yl)propan-2-ol
SMILESCC(O)Cc1cccc2c1NCC2C
InChIInChI=1S/C12H17NO/c1-8-7-13-12-10(6-9(2)14)4-3-5-11(8)12/h3-5,8-9,13-14H,6-7H2,1-2H3
InChIKeyIWHXHLKOEFXNRD-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.14
Rot. Bonds2

About 1-(3-methyl-2,3-dihydro-1H-indol-7-yl)propan-2-ol

1-(3-methyl-2,3-dihydro-1H-indol-7-yl)propan-2-ol (PubChem CID 117204028) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 1-(3-methyl-2,3-dihydro-1H-indol-7-yl)propan-2-ol.

Molecular Properties

Compound Name1-(3-methyl-2,3-dihydro-1H-indol-7-yl)propan-2-ol
PubChem CID117204028
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name1-(3-methyl-2,3-dihydro-1H-indol-7-yl)propan-2-ol
SMILESCC(O)Cc1cccc2c1NCC2C
InChIInChI=1S/C12H17NO/c1-8-7-13-12-10(6-9(2)14)4-3-5-11(8)12/h3-5,8-9,13-14H,6-7H2,1-2H3
InChIKeyIWHXHLKOEFXNRD-UHFFFAOYSA-N
XLogP2.14
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

7-(methoxymethyl)-3-methyl-2,3-dihydro-1H-indole
CID 118511571
O-[(3-methyl-2,3-dihydro-1H-indol-7-yl)methyl]hydroxylamine
CID 117204086
(3R)-7-ethyl-3-propan-2-yl-2,3-dihydro-1H-indole
CID 95430864
1-(2-cyclopentylphenyl)propan-2-ol
CID 117292896
1-(2-cycloheptylphenyl)propan-2-ol
CID 117336946
(3R)-3-methyl-2,3-dihydro-1H-indole-7-carboxylic acid
CID 125041401
3-methyl-2,3-dihydro-1H-indole-7-carboxylic acid
CID 117204169
3-methyl-2,3-dihydro-1H-indole-7-carbaldehyde
CID 117204054
(2R)-1-(3-bromo-2-fluorophenyl)propan-2-ol
CID 95757294
1-(2-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-4-yl)propan-2-ol
CID 117202831
1-(2,3-dichlorophenyl)propan-2-ol;methanol
CID 144705964
1-[2,3-bis(aminomethyl)phenyl]propan-2-ol
CID 101292367

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-2,3-dihydro-1H-indol-7-yl)propan-2-ol?
The IUPAC name of 1-(3-methyl-2,3-dihydro-1H-indol-7-yl)propan-2-ol (CID 117204028) is 1-(3-methyl-2,3-dihydro-1H-indol-7-yl)propan-2-ol.
What is the SMILES notation for 1-(3-methyl-2,3-dihydro-1H-indol-7-yl)propan-2-ol?
The canonical SMILES for 1-(3-methyl-2,3-dihydro-1H-indol-7-yl)propan-2-ol is CC(O)Cc1cccc2c1NCC2C.
What is the InChIKey of 1-(3-methyl-2,3-dihydro-1H-indol-7-yl)propan-2-ol?
The InChIKey is IWHXHLKOEFXNRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-8-7-13-12-10(6-9(2)14)4-3-5-11(8)12/h3-5,8-9,13-14H,6-7H2,1-2H3.
What are the key properties of 1-(3-methyl-2,3-dihydro-1H-indol-7-yl)propan-2-ol?
1-(3-methyl-2,3-dihydro-1H-indol-7-yl)propan-2-ol has a molecular weight of 191.27 g/mol, XLogP of 2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-2,3-dihydro-1H-indol-7-yl)propan-2-ol is sourced from PubChem (CID 117204028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).