1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-methoxyindole

C18H17NO — CID 83165935

IUPAC1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-methoxyindole
SMILESCOc1cccc2c1ccn2CC1Cc2ccccc21
InChIInChI=1S/C18H17NO/c1-20-18-8-4-7-17-16(18)9-10-19(17)12-14-11-13-5-2-3-6-15(13)14/h2-10,14H,11-12H2,1H3
InChIKeyXLBUCNMYRCVHOW-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.99
Rot. Bonds3

About 1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-methoxyindole

1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-methoxyindole (PubChem CID 83165935) has the molecular formula C18H17NO and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-methoxyindole.

Molecular Properties

Compound Name1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-methoxyindole
PubChem CID83165935
Molecular FormulaC18H17NO
Molecular Weight263.34 g/mol
Exact Mass263.13
IUPAC Name1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-methoxyindole
SMILESCOc1cccc2c1ccn2CC1Cc2ccccc21
InChIInChI=1S/C18H17NO/c1-20-18-8-4-7-17-16(18)9-10-19(17)12-14-11-13-5-2-3-6-15(13)14/h2-10,14H,11-12H2,1H3
InChIKeyXLBUCNMYRCVHOW-UHFFFAOYSA-N
XLogP3.99
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-methoxyindole?
The IUPAC name of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-methoxyindole (CID 83165935) is 1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-methoxyindole.
What is the SMILES notation for 1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-methoxyindole?
The canonical SMILES for 1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-methoxyindole is COc1cccc2c1ccn2CC1Cc2ccccc21.
What is the InChIKey of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-methoxyindole?
The InChIKey is XLBUCNMYRCVHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO/c1-20-18-8-4-7-17-16(18)9-10-19(17)12-14-11-13-5-2-3-6-15(13)14/h2-10,14H,11-12H2,1H3.
What are the key properties of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-methoxyindole?
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-methoxyindole has a molecular weight of 263.34 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-methoxyindole is sourced from PubChem (CID 83165935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).