1-(2-tert-butyl-5-methylindol-1-yl)-3-methoxypropan-2-ol

C17H25NO2 — CID 89488999

IUPAC1-(2-tert-butyl-5-methylindol-1-yl)-3-methoxypropan-2-ol
SMILESCOCC(O)Cn1c(C(C)(C)C)cc2cc(C)ccc21
InChIInChI=1S/C17H25NO2/c1-12-6-7-15-13(8-12)9-16(17(2,3)4)18(15)10-14(19)11-20-5/h6-9,14,19H,10-11H2,1-5H3
InChIKeyBUXPYQDNHKKMRA-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.25
Rot. Bonds4

About 1-(2-tert-butyl-5-methylindol-1-yl)-3-methoxypropan-2-ol

1-(2-tert-butyl-5-methylindol-1-yl)-3-methoxypropan-2-ol (PubChem CID 89488999) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-(2-tert-butyl-5-methylindol-1-yl)-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-(2-tert-butyl-5-methylindol-1-yl)-3-methoxypropan-2-ol
PubChem CID89488999
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name1-(2-tert-butyl-5-methylindol-1-yl)-3-methoxypropan-2-ol
SMILESCOCC(O)Cn1c(C(C)(C)C)cc2cc(C)ccc21
InChIInChI=1S/C17H25NO2/c1-12-6-7-15-13(8-12)9-16(17(2,3)4)18(15)10-14(19)11-20-5/h6-9,14,19H,10-11H2,1-5H3
InChIKeyBUXPYQDNHKKMRA-UHFFFAOYSA-N
XLogP3.25
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butyl-5-methylindol-1-yl)-3-methoxypropan-2-ol?
The IUPAC name of 1-(2-tert-butyl-5-methylindol-1-yl)-3-methoxypropan-2-ol (CID 89488999) is 1-(2-tert-butyl-5-methylindol-1-yl)-3-methoxypropan-2-ol.
What is the SMILES notation for 1-(2-tert-butyl-5-methylindol-1-yl)-3-methoxypropan-2-ol?
The canonical SMILES for 1-(2-tert-butyl-5-methylindol-1-yl)-3-methoxypropan-2-ol is COCC(O)Cn1c(C(C)(C)C)cc2cc(C)ccc21.
What is the InChIKey of 1-(2-tert-butyl-5-methylindol-1-yl)-3-methoxypropan-2-ol?
The InChIKey is BUXPYQDNHKKMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-12-6-7-15-13(8-12)9-16(17(2,3)4)18(15)10-14(19)11-20-5/h6-9,14,19H,10-11H2,1-5H3.
What are the key properties of 1-(2-tert-butyl-5-methylindol-1-yl)-3-methoxypropan-2-ol?
1-(2-tert-butyl-5-methylindol-1-yl)-3-methoxypropan-2-ol has a molecular weight of 275.39 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butyl-5-methylindol-1-yl)-3-methoxypropan-2-ol is sourced from PubChem (CID 89488999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).