4-methoxy-1,3-bis(prop-2-enyl)indole

C15H17NO — CID 134991931

IUPAC4-methoxy-1,3-bis(prop-2-enyl)indole
SMILESC=CCc1cn(CC=C)c2cccc(OC)c12
InChIInChI=1S/C15H17NO/c1-4-7-12-11-16(10-5-2)13-8-6-9-14(17-3)15(12)13/h4-6,8-9,11H,1-2,7,10H2,3H3
InChIKeyYLQIEDPQWFCQKN-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.56
Rot. Bonds5

About 4-methoxy-1,3-bis(prop-2-enyl)indole

4-methoxy-1,3-bis(prop-2-enyl)indole (PubChem CID 134991931) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 4-methoxy-1,3-bis(prop-2-enyl)indole.

Molecular Properties

Compound Name4-methoxy-1,3-bis(prop-2-enyl)indole
PubChem CID134991931
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name4-methoxy-1,3-bis(prop-2-enyl)indole
SMILESC=CCc1cn(CC=C)c2cccc(OC)c12
InChIInChI=1S/C15H17NO/c1-4-7-12-11-16(10-5-2)13-8-6-9-14(17-3)15(12)13/h4-6,8-9,11H,1-2,7,10H2,3H3
InChIKeyYLQIEDPQWFCQKN-UHFFFAOYSA-N
XLogP3.56
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-methoxy-1,3-bis(prop-2-enyl)indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-ethyl-4-methoxyindol-3-yl)acetaldehyde
CID 117195026
1,3-dimethoxy-2-prop-2-enylbenzene
CID 3014232
4-ethoxy-1-prop-2-enylindole-3-sulfonyl chloride
CID 83162355
4-propan-2-yloxy-1-prop-2-enylindole-3-sulfonyl chloride
CID 83173786
2-(2-methoxyphenoxy)-6-prop-2-enylphenol
CID 22672183
2-(4-methoxy-1-methylindol-3-yl)acetic acid
CID 82278588
2-butoxy-1-methoxy-3-prop-2-enylbenzene
CID 24770490
2-(1-prop-2-enylindol-3-yl)ethanamine
CID 10375539
2-(4-methoxy-1-methylindol-3-yl)ethyl-trimethylazanium
CID 156698146
3-(4-methoxy-1-methylindol-3-yl)propan-1-amine
CID 82278662
1-prop-2-enyl-3-[1-(1-prop-2-enylindol-3-yl)ethyl]indole
CID 135029119
2-(4-methoxyindol-1-yl)-N,N-dimethylethanamine
CID 83173897

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1,3-bis(prop-2-enyl)indole?
The IUPAC name of 4-methoxy-1,3-bis(prop-2-enyl)indole (CID 134991931) is 4-methoxy-1,3-bis(prop-2-enyl)indole.
What is the SMILES notation for 4-methoxy-1,3-bis(prop-2-enyl)indole?
The canonical SMILES for 4-methoxy-1,3-bis(prop-2-enyl)indole is C=CCc1cn(CC=C)c2cccc(OC)c12.
What is the InChIKey of 4-methoxy-1,3-bis(prop-2-enyl)indole?
The InChIKey is YLQIEDPQWFCQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-4-7-12-11-16(10-5-2)13-8-6-9-14(17-3)15(12)13/h4-6,8-9,11H,1-2,7,10H2,3H3.
What are the key properties of 4-methoxy-1,3-bis(prop-2-enyl)indole?
4-methoxy-1,3-bis(prop-2-enyl)indole has a molecular weight of 227.31 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1,3-bis(prop-2-enyl)indole is sourced from PubChem (CID 134991931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).