(E)-1-indol-1-yloct-2-en-1-ol

C16H21NO — CID 135051242

IUPAC(E)-1-indol-1-yloct-2-en-1-ol
SMILESCCCCC/C=C/C(O)n1ccc2ccccc21
InChIInChI=1S/C16H21NO/c1-2-3-4-5-6-11-16(18)17-13-12-14-9-7-8-10-15(14)17/h6-13,16,18H,2-5H2,1H3/b11-6+
InChIKeyRYPGWQVSAIKHFV-IZZDOVSWSA-N
MW243.35 g/mol
LogP4.27
Rot. Bonds6

About (E)-1-indol-1-yloct-2-en-1-ol

(E)-1-indol-1-yloct-2-en-1-ol (PubChem CID 135051242) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is (E)-1-indol-1-yloct-2-en-1-ol.

Molecular Properties

Compound Name(E)-1-indol-1-yloct-2-en-1-ol
PubChem CID135051242
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name(E)-1-indol-1-yloct-2-en-1-ol
SMILESCCCCC/C=C/C(O)n1ccc2ccccc21
InChIInChI=1S/C16H21NO/c1-2-3-4-5-6-11-16(18)17-13-12-14-9-7-8-10-15(14)17/h6-13,16,18H,2-5H2,1H3/b11-6+
InChIKeyRYPGWQVSAIKHFV-IZZDOVSWSA-N
XLogP4.27
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-indol-1-yldecanal
CID 175134329
1-[(2S)-butan-2-yl]indole
CID 124507288
(E)-1-phenyloct-2-en-1-ol
CID 10822082
(E,1R)-1-phenylnon-2-en-1-ol
CID 11287425
octadec-3-en-2-ylbenzene
CID 140717946
dodec-3-en-2-ylbenzene
CID 140717956
(E)-1-(4-chlorophenyl)non-2-en-1-ol
CID 11184335
(E,2S,3S)-2-(benzhydrylideneamino)octadec-4-en-3-ol
CID 10366367
(Z,2R)-non-3-en-2-ol
CID 11040800
(E,2S,3S)-3-methylundec-4-en-2-ol
CID 10465011
1-indol-1-yloctadecan-1-one
CID 58661273
(E,1S,2R)-1-phenyloct-3-ene-1,2-diol
CID 101054881

Frequently Asked Questions

What is the IUPAC name of (E)-1-indol-1-yloct-2-en-1-ol?
The IUPAC name of (E)-1-indol-1-yloct-2-en-1-ol (CID 135051242) is (E)-1-indol-1-yloct-2-en-1-ol.
What is the SMILES notation for (E)-1-indol-1-yloct-2-en-1-ol?
The canonical SMILES for (E)-1-indol-1-yloct-2-en-1-ol is CCCCC/C=C/C(O)n1ccc2ccccc21.
What is the InChIKey of (E)-1-indol-1-yloct-2-en-1-ol?
The InChIKey is RYPGWQVSAIKHFV-IZZDOVSWSA-N. The full InChI is InChI=1S/C16H21NO/c1-2-3-4-5-6-11-16(18)17-13-12-14-9-7-8-10-15(14)17/h6-13,16,18H,2-5H2,1H3/b11-6+.
What are the key properties of (E)-1-indol-1-yloct-2-en-1-ol?
(E)-1-indol-1-yloct-2-en-1-ol has a molecular weight of 243.35 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-indol-1-yloct-2-en-1-ol is sourced from PubChem (CID 135051242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).