1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-methylindole

C18H17NO — CID 116623048

IUPAC1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-methylindole
SMILESCc1ccc2c(ccn2CC2Cc3ccccc3O2)c1
InChIInChI=1S/C18H17NO/c1-13-6-7-17-14(10-13)8-9-19(17)12-16-11-15-4-2-3-5-18(15)20-16/h2-10,16H,11-12H2,1H3
InChIKeyDRCKMIMVRIGGIC-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.95
Rot. Bonds2

About 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-methylindole

1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-methylindole (PubChem CID 116623048) has the molecular formula C18H17NO and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-methylindole.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-methylindole
PubChem CID116623048
Molecular FormulaC18H17NO
Molecular Weight263.34 g/mol
Exact Mass263.13
IUPAC Name1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-methylindole
SMILESCc1ccc2c(ccn2CC2Cc3ccccc3O2)c1
InChIInChI=1S/C18H17NO/c1-13-6-7-17-14(10-13)8-9-19(17)12-16-11-15-4-2-3-5-18(15)20-16/h2-10,16H,11-12H2,1H3
InChIKeyDRCKMIMVRIGGIC-UHFFFAOYSA-N
XLogP3.95
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dihydro-1-benzofuran-2-ylmethyl)indole-5-carbaldehyde
CID 102910872
5-methyl-1-(oxiran-2-ylmethyl)indole
CID 54857157
[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-methylpyrrol-3-yl]methanamine
CID 114195982
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-fluoroindole
CID 82782530
1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]indol-5-amine
CID 66364702
[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)indol-4-yl]methanol
CID 66364392
2-[(5-methylindol-1-yl)methyl]-4-propan-2-ylmorpholine
CID 116622956
5-methyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)indole
CID 102901099
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)imidazol-2-amine
CID 106569539
N-methyl-1-[1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrol-2-yl]methanamine
CID 66403294
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrole-2-carboxylic acid
CID 62234275
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-ethylimidazol-2-amine
CID 106569578

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-methylindole?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-methylindole (CID 116623048) is 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-methylindole.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-methylindole?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-methylindole is Cc1ccc2c(ccn2CC2Cc3ccccc3O2)c1.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-methylindole?
The InChIKey is DRCKMIMVRIGGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO/c1-13-6-7-17-14(10-13)8-9-19(17)12-16-11-15-4-2-3-5-18(15)20-16/h2-10,16H,11-12H2,1H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-methylindole?
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-methylindole has a molecular weight of 263.34 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-methylindole is sourced from PubChem (CID 116623048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).