2-cyclooctyl-3-(6-methoxy-3,4-dihydronaphthalen-1-yl)-1H-indole

C27H31NO — CID 134900550

IUPAC2-cyclooctyl-3-(6-methoxy-3,4-dihydronaphthalen-1-yl)-1H-indole
SMILESCOc1ccc2c(c1)CCC=C2c1c(C2CCCCCCC2)[nH]c2ccccc12
InChIInChI=1S/C27H31NO/c1-29-21-16-17-22-20(18-21)12-9-14-23(22)26-24-13-7-8-15-25(24)28-27(26)19-10-5-3-2-4-6-11-19/h7-8,13-19,28H,2-6,9-12H2,1H3
InChIKeyIPTOBCRHAOINST-UHFFFAOYSA-N
MW385.55 g/mol
LogP7.38
Rot. Bonds3

About 2-cyclooctyl-3-(6-methoxy-3,4-dihydronaphthalen-1-yl)-1H-indole

2-cyclooctyl-3-(6-methoxy-3,4-dihydronaphthalen-1-yl)-1H-indole (PubChem CID 134900550) has the molecular formula C27H31NO and a molecular weight of 385.55 g/mol. Its IUPAC name is 2-cyclooctyl-3-(6-methoxy-3,4-dihydronaphthalen-1-yl)-1H-indole.

Molecular Properties

Compound Name2-cyclooctyl-3-(6-methoxy-3,4-dihydronaphthalen-1-yl)-1H-indole
PubChem CID134900550
Molecular FormulaC27H31NO
Molecular Weight385.55 g/mol
Exact Mass385.24
IUPAC Name2-cyclooctyl-3-(6-methoxy-3,4-dihydronaphthalen-1-yl)-1H-indole
SMILESCOc1ccc2c(c1)CCC=C2c1c(C2CCCCCCC2)[nH]c2ccccc12
InChIInChI=1S/C27H31NO/c1-29-21-16-17-22-20(18-21)12-9-14-23(22)26-24-13-7-8-15-25(24)28-27(26)19-10-5-3-2-4-6-11-19/h7-8,13-19,28H,2-6,9-12H2,1H3
InChIKeyIPTOBCRHAOINST-UHFFFAOYSA-N
XLogP7.38
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.55
LogP ≤ 57.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclohexyl-6-methoxy-3,4-dihydroisoquinoline
CID 18172454
2-cyclononyl-3-methyl-1H-indole
CID 173177369
(1S)-18-methoxy-1,3,11,12,14,21-hexahydroyohimban
CID 11012165
9-methoxy-6-sulfanylidene-5H-indeno[1,2-c]quinolin-11-one
CID 52951043
6-methoxy-3,4-dihydronaphthalene-1-carbaldehyde
CID 13275745
2-cyclobutyl-5-methoxy-1H-indole-3-carboxylic acid
CID 84728522
2-cyclobutyl-3-methyl-1H-indole
CID 91217757
2-methoxy-5-methyl-8,9-dihydro-7H-benzo[7]annulene
CID 13275751
7-methoxy-3,13-diazatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4(9),5,7-tetraene
CID 164872491
3-(2-cyclohexyl-1H-indol-3-yl)-2,5-dihydroxycyclohexa-2,5-diene-1,4-dione
CID 101212718
(6-methoxy-3,4-dihydronaphthalen-1-yl) 2,2,2-trifluoroacetate
CID 14175471
3-methoxy-8-methyl-6,11-dihydro-5H-benzo[a]carbazole
CID 54511080

Frequently Asked Questions

What is the IUPAC name of 2-cyclooctyl-3-(6-methoxy-3,4-dihydronaphthalen-1-yl)-1H-indole?
The IUPAC name of 2-cyclooctyl-3-(6-methoxy-3,4-dihydronaphthalen-1-yl)-1H-indole (CID 134900550) is 2-cyclooctyl-3-(6-methoxy-3,4-dihydronaphthalen-1-yl)-1H-indole.
What is the SMILES notation for 2-cyclooctyl-3-(6-methoxy-3,4-dihydronaphthalen-1-yl)-1H-indole?
The canonical SMILES for 2-cyclooctyl-3-(6-methoxy-3,4-dihydronaphthalen-1-yl)-1H-indole is COc1ccc2c(c1)CCC=C2c1c(C2CCCCCCC2)[nH]c2ccccc12.
What is the InChIKey of 2-cyclooctyl-3-(6-methoxy-3,4-dihydronaphthalen-1-yl)-1H-indole?
The InChIKey is IPTOBCRHAOINST-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31NO/c1-29-21-16-17-22-20(18-21)12-9-14-23(22)26-24-13-7-8-15-25(24)28-27(26)19-10-5-3-2-4-6-11-19/h7-8,13-19,28H,2-6,9-12H2,1H3.
What are the key properties of 2-cyclooctyl-3-(6-methoxy-3,4-dihydronaphthalen-1-yl)-1H-indole?
2-cyclooctyl-3-(6-methoxy-3,4-dihydronaphthalen-1-yl)-1H-indole has a molecular weight of 385.55 g/mol, XLogP of 7.38, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclooctyl-3-(6-methoxy-3,4-dihydronaphthalen-1-yl)-1H-indole is sourced from PubChem (CID 134900550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).