1-(6-methoxynaphthalen-2-yl)-1,3,4,9-tetrahydropyrano[3,4-b]indole

C22H19NO2 — CID 171356189

IUPAC1-(6-methoxynaphthalen-2-yl)-1,3,4,9-tetrahydropyrano[3,4-b]indole
SMILESCOc1ccc2cc(C3OCCc4c3[nH]c3ccccc43)ccc2c1
InChIInChI=1S/C22H19NO2/c1-24-17-9-8-14-12-16(7-6-15(14)13-17)22-21-19(10-11-25-22)18-4-2-3-5-20(18)23-21/h2-9,12-13,22-23H,10-11H2,1H3
InChIKeyKMLHPYVTIQOPIS-UHFFFAOYSA-N
MW329.40 g/mol
LogP4.99
Rot. Bonds2

About 1-(6-methoxynaphthalen-2-yl)-1,3,4,9-tetrahydropyrano[3,4-b]indole

1-(6-methoxynaphthalen-2-yl)-1,3,4,9-tetrahydropyrano[3,4-b]indole (PubChem CID 171356189) has the molecular formula C22H19NO2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-(6-methoxynaphthalen-2-yl)-1,3,4,9-tetrahydropyrano[3,4-b]indole.

Molecular Properties

Compound Name1-(6-methoxynaphthalen-2-yl)-1,3,4,9-tetrahydropyrano[3,4-b]indole
PubChem CID171356189
Molecular FormulaC22H19NO2
Molecular Weight329.40 g/mol
Exact Mass329.14
IUPAC Name1-(6-methoxynaphthalen-2-yl)-1,3,4,9-tetrahydropyrano[3,4-b]indole
SMILESCOc1ccc2cc(C3OCCc4c3[nH]c3ccccc43)ccc2c1
InChIInChI=1S/C22H19NO2/c1-24-17-9-8-14-12-16(7-6-15(14)13-17)22-21-19(10-11-25-22)18-4-2-3-5-20(18)23-21/h2-9,12-13,22-23H,10-11H2,1H3
InChIKeyKMLHPYVTIQOPIS-UHFFFAOYSA-N
XLogP4.99
TPSA34.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-4-methoxyphenyl)-1,3,4,9-tetrahydropyrano[3,4-b]indole
CID 172635544
(1R)-6-chloro-1-phenyl-1,3,4,9-tetrahydropyrano[3,4-b]indole
CID 132967000
2-(4,6-dichloropyrimidin-2-yl)-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 46854997
(1R)-6-methoxy-1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium
CID 6955622
(1S)-18-methoxy-1,3,11,12,14,21-hexahydroyohimban
CID 11012165
(12S)-12-(4-fluorophenyl)-19-methoxy-10,13-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-3(11),4,6,8,16(21),17,19-heptaene
CID 141353710
6-methoxy-1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 3337812
5-methoxy-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-1H-indole-2-carboxamide
CID 125432343
1-(4-methoxyphenyl)-2-tetradecyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 167142756
1-[(1R)-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]butan-1-one
CID 92730443
ethoxy-[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanol
CID 145496027
3-(chloromethyl)-2-(6-methoxynaphthalen-2-yl)oxolane
CID 79373694

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxynaphthalen-2-yl)-1,3,4,9-tetrahydropyrano[3,4-b]indole?
The IUPAC name of 1-(6-methoxynaphthalen-2-yl)-1,3,4,9-tetrahydropyrano[3,4-b]indole (CID 171356189) is 1-(6-methoxynaphthalen-2-yl)-1,3,4,9-tetrahydropyrano[3,4-b]indole.
What is the SMILES notation for 1-(6-methoxynaphthalen-2-yl)-1,3,4,9-tetrahydropyrano[3,4-b]indole?
The canonical SMILES for 1-(6-methoxynaphthalen-2-yl)-1,3,4,9-tetrahydropyrano[3,4-b]indole is COc1ccc2cc(C3OCCc4c3[nH]c3ccccc43)ccc2c1.
What is the InChIKey of 1-(6-methoxynaphthalen-2-yl)-1,3,4,9-tetrahydropyrano[3,4-b]indole?
The InChIKey is KMLHPYVTIQOPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO2/c1-24-17-9-8-14-12-16(7-6-15(14)13-17)22-21-19(10-11-25-22)18-4-2-3-5-20(18)23-21/h2-9,12-13,22-23H,10-11H2,1H3.
What are the key properties of 1-(6-methoxynaphthalen-2-yl)-1,3,4,9-tetrahydropyrano[3,4-b]indole?
1-(6-methoxynaphthalen-2-yl)-1,3,4,9-tetrahydropyrano[3,4-b]indole has a molecular weight of 329.40 g/mol, XLogP of 4.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxynaphthalen-2-yl)-1,3,4,9-tetrahydropyrano[3,4-b]indole is sourced from PubChem (CID 171356189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).