8-(2,3-dihydroindol-1-yl)-3,7-dimethylocta-2,6-dien-1-ol

C18H25NO — CID 54025459

IUPAC8-(2,3-dihydroindol-1-yl)-3,7-dimethylocta-2,6-dien-1-ol
SMILESCC(=CCO)CCC=C(C)CN1CCc2ccccc21
InChIInChI=1S/C18H25NO/c1-15(11-13-20)6-5-7-16(2)14-19-12-10-17-8-3-4-9-18(17)19/h3-4,7-9,11,20H,5-6,10,12-14H2,1-2H3
InChIKeyLBVTYQDEGTWUMC-UHFFFAOYSA-N
MW271.40 g/mol
LogP3.71
Rot. Bonds6

About 8-(2,3-dihydroindol-1-yl)-3,7-dimethylocta-2,6-dien-1-ol

8-(2,3-dihydroindol-1-yl)-3,7-dimethylocta-2,6-dien-1-ol (PubChem CID 54025459) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 8-(2,3-dihydroindol-1-yl)-3,7-dimethylocta-2,6-dien-1-ol.

Molecular Properties

Compound Name8-(2,3-dihydroindol-1-yl)-3,7-dimethylocta-2,6-dien-1-ol
PubChem CID54025459
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name8-(2,3-dihydroindol-1-yl)-3,7-dimethylocta-2,6-dien-1-ol
SMILESCC(=CCO)CCC=C(C)CN1CCc2ccccc21
InChIInChI=1S/C18H25NO/c1-15(11-13-20)6-5-7-16(2)14-19-12-10-17-8-3-4-9-18(17)19/h3-4,7-9,11,20H,5-6,10,12-14H2,1-2H3
InChIKeyLBVTYQDEGTWUMC-UHFFFAOYSA-N
XLogP3.71
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methylprop-2-enyl)-2,3-dihydroindole
CID 15723561
(E)-4-(3,4-dihydro-2H-quinolin-1-yl)-3-methylbut-2-enoic acid
CID 55236328
2-(2,3-dihydroindol-1-yl)acetate
CID 6935608
1-cyclopropyl-2-(2,3-dihydroindol-1-yl)ethanone
CID 63912554
2-(2,3-dihydroindol-1-yl)ethanol;hydrochloride
CID 169005265
2-(2,3-dihydroindol-1-yl)-N'-hydroxyethanimidamide
CID 24703377
1-[(2E)-2-ethenylpenta-2,4-dienyl]-2,3-dihydroindole
CID 145056471
1-(3-fluoroprop-2-enyl)-2,3-dihydroindole
CID 175249463
2-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]propanoic acid
CID 82041853
2-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]acetic acid
CID 82041294
1-(chloromethyl)-2,3-dihydroindole
CID 59108457
(2E,6E,10E,14E,18E,22E,26Z,30Z,34Z)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaen-1-ol
CID 172806438

Frequently Asked Questions

What is the IUPAC name of 8-(2,3-dihydroindol-1-yl)-3,7-dimethylocta-2,6-dien-1-ol?
The IUPAC name of 8-(2,3-dihydroindol-1-yl)-3,7-dimethylocta-2,6-dien-1-ol (CID 54025459) is 8-(2,3-dihydroindol-1-yl)-3,7-dimethylocta-2,6-dien-1-ol.
What is the SMILES notation for 8-(2,3-dihydroindol-1-yl)-3,7-dimethylocta-2,6-dien-1-ol?
The canonical SMILES for 8-(2,3-dihydroindol-1-yl)-3,7-dimethylocta-2,6-dien-1-ol is CC(=CCO)CCC=C(C)CN1CCc2ccccc21.
What is the InChIKey of 8-(2,3-dihydroindol-1-yl)-3,7-dimethylocta-2,6-dien-1-ol?
The InChIKey is LBVTYQDEGTWUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-15(11-13-20)6-5-7-16(2)14-19-12-10-17-8-3-4-9-18(17)19/h3-4,7-9,11,20H,5-6,10,12-14H2,1-2H3.
What are the key properties of 8-(2,3-dihydroindol-1-yl)-3,7-dimethylocta-2,6-dien-1-ol?
8-(2,3-dihydroindol-1-yl)-3,7-dimethylocta-2,6-dien-1-ol has a molecular weight of 271.40 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,3-dihydroindol-1-yl)-3,7-dimethylocta-2,6-dien-1-ol is sourced from PubChem (CID 54025459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).