(6aR)-10,11-bis(phenylmethoxy)-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-2-ol

C33H33NO3 — CID 24795220

IUPAC(6aR)-10,11-bis(phenylmethoxy)-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-2-ol
SMILESCCCN1CCc2cc(O)cc3c2[C@H]1Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1-3
InChIInChI=1S/C33H33NO3/c1-2-16-34-17-15-26-18-27(35)20-28-31(26)29(34)19-25-13-14-30(36-21-23-9-5-3-6-10-23)33(32(25)28)37-22-24-11-7-4-8-12-24/h3-14,18,20,29,35H,2,15-17,19,21-22H2,1H3/t29-/m1/s1
InChIKeyVETIQLIFUGRUSH-GDLZYMKVSA-N
MW491.63 g/mol
LogP7.08
Rot. Bonds8

About (6aR)-10,11-bis(phenylmethoxy)-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-2-ol

(6aR)-10,11-bis(phenylmethoxy)-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-2-ol (PubChem CID 24795220) has the molecular formula C33H33NO3 and a molecular weight of 491.63 g/mol. Its IUPAC name is (6aR)-10,11-bis(phenylmethoxy)-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-2-ol.

Molecular Properties

Compound Name(6aR)-10,11-bis(phenylmethoxy)-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-2-ol
PubChem CID24795220
Molecular FormulaC33H33NO3
Molecular Weight491.63 g/mol
Exact Mass491.25
IUPAC Name(6aR)-10,11-bis(phenylmethoxy)-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-2-ol
SMILESCCCN1CCc2cc(O)cc3c2[C@H]1Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1-3
InChIInChI=1S/C33H33NO3/c1-2-16-34-17-15-26-18-27(35)20-28-31(26)29(34)19-25-13-14-30(36-21-23-9-5-3-6-10-23)33(32(25)28)37-22-24-11-7-4-8-12-24/h3-14,18,20,29,35H,2,15-17,19,21-22H2,1H3/t29-/m1/s1
InChIKeyVETIQLIFUGRUSH-GDLZYMKVSA-N
XLogP7.08
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.63
LogP ≤ 57.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (6aR)-10,11-bis(phenylmethoxy)-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-2-ol with MolForge

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Related Compounds

2-(2-fluoroethoxy)-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol
CID 75967295
(6aR)-2-(3-fluoropropoxy)-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol;methane
CID 160830593
(6aR)-10-methyl-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol
CID 10613676
(6aR)-6-propyl-2-(tritritiomethoxy)-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol;2,2,2-trifluoroacetic acid
CID 24795815
(2-fluoro-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-yl) 2-methylpropanoate
CID 11508904
11-(2-methylprop-2-enoxy)-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
CID 75164299
[(6aR)-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-yl] butanoate
CID 25141414
[(6aR)-6-ethyl-2-(2-fluoroethoxy)-11-hydroxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-10-yl] trifluoromethanesulfonate
CID 87408123
6-prop-2-enyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,10,11-triol
CID 70480088
3,9-dimethoxy-2,10-bis(phenylmethoxy)-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
CID 14011128
[(6aR)-2-methoxy-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-yl] N-methylcarbamate
CID 25166005
[6-ethyl-2-(2-fluoropropoxy)-11-hydroxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-10-yl] trifluoromethanesulfonate
CID 140613298

Frequently Asked Questions

What is the IUPAC name of (6aR)-10,11-bis(phenylmethoxy)-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-2-ol?
The IUPAC name of (6aR)-10,11-bis(phenylmethoxy)-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-2-ol (CID 24795220) is (6aR)-10,11-bis(phenylmethoxy)-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-2-ol.
What is the SMILES notation for (6aR)-10,11-bis(phenylmethoxy)-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-2-ol?
The canonical SMILES for (6aR)-10,11-bis(phenylmethoxy)-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-2-ol is CCCN1CCc2cc(O)cc3c2[C@H]1Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1-3.
What is the InChIKey of (6aR)-10,11-bis(phenylmethoxy)-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-2-ol?
The InChIKey is VETIQLIFUGRUSH-GDLZYMKVSA-N. The full InChI is InChI=1S/C33H33NO3/c1-2-16-34-17-15-26-18-27(35)20-28-31(26)29(34)19-25-13-14-30(36-21-23-9-5-3-6-10-23)33(32(25)28)37-22-24-11-7-4-8-12-24/h3-14,18,20,29,35H,2,15-17,19,21-22H2,1H3/t29-/m1/s1.
What are the key properties of (6aR)-10,11-bis(phenylmethoxy)-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-2-ol?
(6aR)-10,11-bis(phenylmethoxy)-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-2-ol has a molecular weight of 491.63 g/mol, XLogP of 7.08, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR)-10,11-bis(phenylmethoxy)-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-2-ol is sourced from PubChem (CID 24795220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).