4-methoxy-2-methyl-1,6,7,8-tetrahydrocyclopenta[g]indole;(4-methoxy-1,6,7,8-tetrahydrocyclopenta[g]indol-2-yl)methanol

C26H30N2O3 — CID 157297896

IUPAC4-methoxy-2-methyl-1,6,7,8-tetrahydrocyclopenta[g]indole;(4-methoxy-1,6,7,8-tetrahydrocyclopenta[g]indol-2-yl)methanol
SMILESCOc1cc2c(c3[nH]c(C)cc13)CCC2.COc1cc2c(c3[nH]c(CO)cc13)CCC2
InChIInChI=1S/C13H15NO2.C13H15NO/c1-16-12-5-8-3-2-4-10(8)13-11(12)6-9(7-15)14-13;1-8-6-11-12(15-2)7-9-4-3-5-10(9)13(11)14-8/h5-6,14-15H,2-4,7H2,1H3;6-7,14H,3-5H2,1-2H3
InChIKeyBBNZKMMEQFNOPR-UHFFFAOYSA-N
MW418.54 g/mol
LogP5.13
Rot. Bonds3

About 4-methoxy-2-methyl-1,6,7,8-tetrahydrocyclopenta[g]indole;(4-methoxy-1,6,7,8-tetrahydrocyclopenta[g]indol-2-yl)methanol

4-methoxy-2-methyl-1,6,7,8-tetrahydrocyclopenta[g]indole;(4-methoxy-1,6,7,8-tetrahydrocyclopenta[g]indol-2-yl)methanol (PubChem CID 157297896) has the molecular formula C26H30N2O3 and a molecular weight of 418.54 g/mol. Its IUPAC name is 4-methoxy-2-methyl-1,6,7,8-tetrahydrocyclopenta[g]indole;(4-methoxy-1,6,7,8-tetrahydrocyclopenta[g]indol-2-yl)methanol.

Molecular Properties

Compound Name4-methoxy-2-methyl-1,6,7,8-tetrahydrocyclopenta[g]indole;(4-methoxy-1,6,7,8-tetrahydrocyclopenta[g]indol-2-yl)methanol
PubChem CID157297896
Molecular FormulaC26H30N2O3
Molecular Weight418.54 g/mol
Exact Mass418.23
IUPAC Name4-methoxy-2-methyl-1,6,7,8-tetrahydrocyclopenta[g]indole;(4-methoxy-1,6,7,8-tetrahydrocyclopenta[g]indol-2-yl)methanol
SMILESCOc1cc2c(c3[nH]c(C)cc13)CCC2.COc1cc2c(c3[nH]c(CO)cc13)CCC2
InChIInChI=1S/C13H15NO2.C13H15NO/c1-16-12-5-8-3-2-4-10(8)13-11(12)6-9(7-15)14-13;1-8-6-11-12(15-2)7-9-4-3-5-10(9)13(11)14-8/h5-6,14-15H,2-4,7H2,1H3;6-7,14H,3-5H2,1-2H3
InChIKeyBBNZKMMEQFNOPR-UHFFFAOYSA-N
XLogP5.13
TPSA70.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.54
LogP ≤ 55.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(4,7-dimethoxy-2,3-dihydro-1H-inden-5-yl)methanol
CID 84676076
2-methyl-1,6,7,8-tetrahydrocyclopenta[g]indole
CID 172623300
7,8,9-trimethoxy-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 609958
ethane;2-methyl-1,6,7,8-tetrahydrocyclopenta[g]indole
CID 172623299
4,5,19-trimethoxy-9,10-dimethyltetracyclo[10.7.0.02,7.014,18]nonadeca-1(12),2,4,6,13,18-hexaen-3-ol
CID 78157446
15,17-dimethoxybicyclo[12.2.2]octadeca-1(16),14,17-triene
CID 15938960
2,3,4-trimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-ol
CID 24973086
3-(6-methoxy-2,3-dihydro-1H-inden-5-yl)propan-1-ol
CID 117294969
(5,7-dimethoxy-1H-indol-2-yl)methanol
CID 84817994
2-(6,7-dimethoxy-2,3-dihydro-1H-inden-4-yl)ethanamine
CID 54401717
2-[(3-methoxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]piperidine
CID 117436649
[4,7-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methoxy-6-methyl-1H-indol-2-yl]methanol
CID 10694918

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-1,6,7,8-tetrahydrocyclopenta[g]indole;(4-methoxy-1,6,7,8-tetrahydrocyclopenta[g]indol-2-yl)methanol?
The IUPAC name of 4-methoxy-2-methyl-1,6,7,8-tetrahydrocyclopenta[g]indole;(4-methoxy-1,6,7,8-tetrahydrocyclopenta[g]indol-2-yl)methanol (CID 157297896) is 4-methoxy-2-methyl-1,6,7,8-tetrahydrocyclopenta[g]indole;(4-methoxy-1,6,7,8-tetrahydrocyclopenta[g]indol-2-yl)methanol.
What is the SMILES notation for 4-methoxy-2-methyl-1,6,7,8-tetrahydrocyclopenta[g]indole;(4-methoxy-1,6,7,8-tetrahydrocyclopenta[g]indol-2-yl)methanol?
The canonical SMILES for 4-methoxy-2-methyl-1,6,7,8-tetrahydrocyclopenta[g]indole;(4-methoxy-1,6,7,8-tetrahydrocyclopenta[g]indol-2-yl)methanol is COc1cc2c(c3[nH]c(C)cc13)CCC2.COc1cc2c(c3[nH]c(CO)cc13)CCC2.
What is the InChIKey of 4-methoxy-2-methyl-1,6,7,8-tetrahydrocyclopenta[g]indole;(4-methoxy-1,6,7,8-tetrahydrocyclopenta[g]indol-2-yl)methanol?
The InChIKey is BBNZKMMEQFNOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2.C13H15NO/c1-16-12-5-8-3-2-4-10(8)13-11(12)6-9(7-15)14-13;1-8-6-11-12(15-2)7-9-4-3-5-10(9)13(11)14-8/h5-6,14-15H,2-4,7H2,1H3;6-7,14H,3-5H2,1-2H3.
What are the key properties of 4-methoxy-2-methyl-1,6,7,8-tetrahydrocyclopenta[g]indole;(4-methoxy-1,6,7,8-tetrahydrocyclopenta[g]indol-2-yl)methanol?
4-methoxy-2-methyl-1,6,7,8-tetrahydrocyclopenta[g]indole;(4-methoxy-1,6,7,8-tetrahydrocyclopenta[g]indol-2-yl)methanol has a molecular weight of 418.54 g/mol, XLogP of 5.13, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-1,6,7,8-tetrahydrocyclopenta[g]indole;(4-methoxy-1,6,7,8-tetrahydrocyclopenta[g]indol-2-yl)methanol is sourced from PubChem (CID 157297896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).