3-phenyl-1-[2-[(E)-prop-1-enoxy]ethyl]indole

C19H19NO — CID 134842217

IUPAC3-phenyl-1-[2-[(E)-prop-1-enoxy]ethyl]indole
SMILESC/C=C/OCCn1cc(-c2ccccc2)c2ccccc21
InChIInChI=1S/C19H19NO/c1-2-13-21-14-12-20-15-18(16-8-4-3-5-9-16)17-10-6-7-11-19(17)20/h2-11,13,15H,12,14H2,1H3/b13-2+
InChIKeyYCDPSGYFMCSGLA-XNJYKOPJSA-N
MW277.37 g/mol
LogP4.86
Rot. Bonds5

About 3-phenyl-1-[2-[(E)-prop-1-enoxy]ethyl]indole

3-phenyl-1-[2-[(E)-prop-1-enoxy]ethyl]indole (PubChem CID 134842217) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-phenyl-1-[2-[(E)-prop-1-enoxy]ethyl]indole.

Molecular Properties

Compound Name3-phenyl-1-[2-[(E)-prop-1-enoxy]ethyl]indole
PubChem CID134842217
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC Name3-phenyl-1-[2-[(E)-prop-1-enoxy]ethyl]indole
SMILESC/C=C/OCCn1cc(-c2ccccc2)c2ccccc21
InChIInChI=1S/C19H19NO/c1-2-13-21-14-12-20-15-18(16-8-4-3-5-9-16)17-10-6-7-11-19(17)20/h2-11,13,15H,12,14H2,1H3/b13-2+
InChIKeyYCDPSGYFMCSGLA-XNJYKOPJSA-N
XLogP4.86
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(3-phenylindol-1-yl)propan-1-amine
CID 15134122
1-(3-phenylindol-1-yl)propan-2-amine
CID 154276065
1-(methylamino)-3-(3-phenylindol-1-yl)propan-2-ol
CID 91261190
N-(3-phenylindol-1-yl)prop-2-en-1-imine
CID 71387667
1-(2-methoxyethyl)indole-3-carbaldehyde
CID 2194468
3-[5-ethenyl-1-[2-(2-hydroxyethoxy)ethyl]-4-[(Z)-prop-1-enyl]pyrrol-3-yl]-4-[1-[2-(2-hydroxyethoxy)ethyl]indol-3-yl]pyrrole-2,5-dione
CID 142146107
1-benzyl-3-(3,5-dimethoxyphenyl)indole
CID 66552988
N'-[2-(dimethylamino)ethyl]-N,N-dimethyl-N'-(3-phenylindol-1-yl)ethane-1,2-diamine;dihydrochloride
CID 131884547
ethyl 3-phenylindole-1-carboxylate
CID 69433290
1-(2-iodophenyl)-2-(3-phenylindol-1-yl)ethanone
CID 146509223
[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]indol-3-yl]methanol
CID 104565359
N'-[2-(dimethylamino)ethyl]-N,N-dimethyl-N'-(3-phenylindol-1-yl)ethane-1,2-diamine;hydrate;dihydrochloride
CID 23622822

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-[2-[(E)-prop-1-enoxy]ethyl]indole?
The IUPAC name of 3-phenyl-1-[2-[(E)-prop-1-enoxy]ethyl]indole (CID 134842217) is 3-phenyl-1-[2-[(E)-prop-1-enoxy]ethyl]indole.
What is the SMILES notation for 3-phenyl-1-[2-[(E)-prop-1-enoxy]ethyl]indole?
The canonical SMILES for 3-phenyl-1-[2-[(E)-prop-1-enoxy]ethyl]indole is C/C=C/OCCn1cc(-c2ccccc2)c2ccccc21.
What is the InChIKey of 3-phenyl-1-[2-[(E)-prop-1-enoxy]ethyl]indole?
The InChIKey is YCDPSGYFMCSGLA-XNJYKOPJSA-N. The full InChI is InChI=1S/C19H19NO/c1-2-13-21-14-12-20-15-18(16-8-4-3-5-9-16)17-10-6-7-11-19(17)20/h2-11,13,15H,12,14H2,1H3/b13-2+.
What are the key properties of 3-phenyl-1-[2-[(E)-prop-1-enoxy]ethyl]indole?
3-phenyl-1-[2-[(E)-prop-1-enoxy]ethyl]indole has a molecular weight of 277.37 g/mol, XLogP of 4.86, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-[2-[(E)-prop-1-enoxy]ethyl]indole is sourced from PubChem (CID 134842217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).