tert-butyl 3-(1-hydroxypentyl)indole-1-carboxylate

C18H25NO3 — CID 138971903

IUPACtert-butyl 3-(1-hydroxypentyl)indole-1-carboxylate
SMILESCCCCC(O)c1cn(C(=O)OC(C)(C)C)c2ccccc12
InChIInChI=1S/C18H25NO3/c1-5-6-11-16(20)14-12-19(17(21)22-18(2,3)4)15-10-8-7-9-13(14)15/h7-10,12,16,20H,5-6,11H2,1-4H3
InChIKeyHPXGICKESSAIDJ-UHFFFAOYSA-N
MW303.40 g/mol
LogP4.65
Rot. Bonds4

About tert-butyl 3-(1-hydroxypentyl)indole-1-carboxylate

tert-butyl 3-(1-hydroxypentyl)indole-1-carboxylate (PubChem CID 138971903) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is tert-butyl 3-(1-hydroxypentyl)indole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(1-hydroxypentyl)indole-1-carboxylate
PubChem CID138971903
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Nametert-butyl 3-(1-hydroxypentyl)indole-1-carboxylate
SMILESCCCCC(O)c1cn(C(=O)OC(C)(C)C)c2ccccc12
InChIInChI=1S/C18H25NO3/c1-5-6-11-16(20)14-12-19(17(21)22-18(2,3)4)15-10-8-7-9-13(14)15/h7-10,12,16,20H,5-6,11H2,1-4H3
InChIKeyHPXGICKESSAIDJ-UHFFFAOYSA-N
XLogP4.65
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

dimethyl 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]propanedioate
CID 102052220
3-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]butanoic acid
CID 24720875
tert-butyl 3-(3-hydroxybutyl)indole-1-carboxylate
CID 135013234
tert-butyl 3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]methyl]indole-1-carboxylate
CID 11719273
tert-butyl 3-(1-hydroxy-2-methylbuta-2,3-dienyl)indole-1-carboxylate
CID 71764563
tert-butyl 3-(aminomethyl)indole-1-carboxylate
CID 10999341
tert-butyl 3-acetylindole-1-carboxylate
CID 14593498
tert-butyl 3-[(R)-amino-[2-(2-hydroxyethyl)phenyl]methyl]indole-1-carboxylate
CID 25257746
tert-butyl 3-[4-(4-tert-butylphenyl)-1-oxobutan-2-yl]indole-1-carboxylate
CID 129225199
tert-butyl 3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]indole-1-carboxylate
CID 174538355
CID 163971727
CID 163971727
tert-butyl 3-formylindole-1-carboxylate
CID 2764519

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(1-hydroxypentyl)indole-1-carboxylate?
The IUPAC name of tert-butyl 3-(1-hydroxypentyl)indole-1-carboxylate (CID 138971903) is tert-butyl 3-(1-hydroxypentyl)indole-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(1-hydroxypentyl)indole-1-carboxylate?
The canonical SMILES for tert-butyl 3-(1-hydroxypentyl)indole-1-carboxylate is CCCCC(O)c1cn(C(=O)OC(C)(C)C)c2ccccc12.
What is the InChIKey of tert-butyl 3-(1-hydroxypentyl)indole-1-carboxylate?
The InChIKey is HPXGICKESSAIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c1-5-6-11-16(20)14-12-19(17(21)22-18(2,3)4)15-10-8-7-9-13(14)15/h7-10,12,16,20H,5-6,11H2,1-4H3.
What are the key properties of tert-butyl 3-(1-hydroxypentyl)indole-1-carboxylate?
tert-butyl 3-(1-hydroxypentyl)indole-1-carboxylate has a molecular weight of 303.40 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(1-hydroxypentyl)indole-1-carboxylate is sourced from PubChem (CID 138971903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).