(1-propan-2-yl-2,3-dihydroindol-5-yl)methanol

C12H17NO — CID 115114830

IUPAC(1-propan-2-yl-2,3-dihydroindol-5-yl)methanol
SMILESCC(C)N1CCc2cc(CO)ccc21
InChIInChI=1S/C12H17NO/c1-9(2)13-6-5-11-7-10(8-14)3-4-12(11)13/h3-4,7,9,14H,5-6,8H2,1-2H3
InChIKeyQLJNPNHRUTVHMR-UHFFFAOYSA-N
MW191.27 g/mol
LogP1.95
Rot. Bonds2

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

(1-propan-2-yl-2,3-dihydroindol-5-yl)methanol (PubChem CID 115114830) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is (1-propan-2-yl-2,3-dihydroindol-5-yl)methanol.

Molecular Properties

Compound Name(1-propan-2-yl-2,3-dihydroindol-5-yl)methanol
PubChem CID115114830
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name(1-propan-2-yl-2,3-dihydroindol-5-yl)methanol
SMILESCC(C)N1CCc2cc(CO)ccc21
InChIInChI=1S/C12H17NO/c1-9(2)13-6-5-11-7-10(8-14)3-4-12(11)13/h3-4,7,9,14H,5-6,8H2,1-2H3
InChIKeyQLJNPNHRUTVHMR-UHFFFAOYSA-N
XLogP1.95
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1-propan-2-yl-2,3-dihydroindol-5-yl)methanol?
The IUPAC name of (1-propan-2-yl-2,3-dihydroindol-5-yl)methanol (CID 115114830) is (1-propan-2-yl-2,3-dihydroindol-5-yl)methanol.
What is the SMILES notation for (1-propan-2-yl-2,3-dihydroindol-5-yl)methanol?
The canonical SMILES for (1-propan-2-yl-2,3-dihydroindol-5-yl)methanol is CC(C)N1CCc2cc(CO)ccc21.
What is the InChIKey of (1-propan-2-yl-2,3-dihydroindol-5-yl)methanol?
The InChIKey is QLJNPNHRUTVHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-9(2)13-6-5-11-7-10(8-14)3-4-12(11)13/h3-4,7,9,14H,5-6,8H2,1-2H3.
What are the key properties of (1-propan-2-yl-2,3-dihydroindol-5-yl)methanol?
(1-propan-2-yl-2,3-dihydroindol-5-yl)methanol has a molecular weight of 191.27 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propan-2-yl-2,3-dihydroindol-5-yl)methanol is sourced from PubChem (CID 115114830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).