8,9-dimethoxy-6-(4-phenoxyphenyl)-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol

C27H27NO4 — CID 10094165

IUPAC8,9-dimethoxy-6-(4-phenoxyphenyl)-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol
SMILESCOc1cc2c(cc1OC)C1CC(O)CCC1N=C2c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C27H27NO4/c1-30-25-15-21-22-14-18(29)10-13-24(22)28-27(23(21)16-26(25)31-2)17-8-11-20(12-9-17)32-19-6-4-3-5-7-19/h3-9,11-12,15-16,18,22,24,29H,10,13-14H2,1-2H3
InChIKeyDQKJNYJVNPEWOO-UHFFFAOYSA-N
MW429.52 g/mol
LogP5.34
Rot. Bonds5

About 8,9-dimethoxy-6-(4-phenoxyphenyl)-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol

8,9-dimethoxy-6-(4-phenoxyphenyl)-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol (PubChem CID 10094165) has the molecular formula C27H27NO4 and a molecular weight of 429.52 g/mol. Its IUPAC name is 8,9-dimethoxy-6-(4-phenoxyphenyl)-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol.

Molecular Properties

Compound Name8,9-dimethoxy-6-(4-phenoxyphenyl)-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol
PubChem CID10094165
Molecular FormulaC27H27NO4
Molecular Weight429.52 g/mol
Exact Mass429.19
IUPAC Name8,9-dimethoxy-6-(4-phenoxyphenyl)-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol
SMILESCOc1cc2c(cc1OC)C1CC(O)CCC1N=C2c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C27H27NO4/c1-30-25-15-21-22-14-18(29)10-13-24(22)28-27(23(21)16-26(25)31-2)17-8-11-20(12-9-17)32-19-6-4-3-5-7-19/h3-9,11-12,15-16,18,22,24,29H,10,13-14H2,1-2H3
InChIKeyDQKJNYJVNPEWOO-UHFFFAOYSA-N
XLogP5.34
TPSA60.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.52
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[8-(difluoromethoxy)-2-hydroxy-9-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-6-yl]benzoate
CID 10320522
8,9-dimethoxy-6-[4-(2-propyltetrazol-5-yl)phenyl]-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol
CID 11503257
(2R,4aR,10bR)-9-ethoxy-8-methoxy-6-(6-methoxy-3-pyridinyl)-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol;hydrochloride
CID 67022754
9-ethoxy-8-methoxy-6-[4-(thiadiazol-4-yl)phenyl]-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol
CID 11690635
4-(3-hydroxy-8,9-dimethoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-6-yl)benzonitrile
CID 10473831
6-(2,1,3-benzoxadiazol-5-yl)-9-(difluoromethoxy)-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol
CID 67340978
4-[(2R,4aR,10bR)-9-(difluoromethoxy)-2-hydroxy-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-6-yl]-N-cyclopropylbenzamide
CID 11259600
[4-(9-ethoxy-2-hydroxy-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-6-yl)phenyl]-(1-methylpiperidin-4-yl)methanone
CID 11155789
3-[(2R,4aR,10bR)-9-ethoxy-2-hydroxy-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-6-yl]-1-methylpyridin-2-one
CID 141270928
(2R,4aR,10bR)-6-[2-(dimethylamino)pyrimidin-5-yl]-9-ethoxy-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol;dihydrobromide
CID 162318635
(2R,4aR,10bR)-6-[2-(dimethylamino)pyrimidin-5-yl]-9-ethoxy-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol;hydrochloride
CID 67022568
8-(difluoromethoxy)-9-methoxy-6-(4-morpholin-4-ylsulfonylphenyl)-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol
CID 11713373

Frequently Asked Questions

What is the IUPAC name of 8,9-dimethoxy-6-(4-phenoxyphenyl)-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol?
The IUPAC name of 8,9-dimethoxy-6-(4-phenoxyphenyl)-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol (CID 10094165) is 8,9-dimethoxy-6-(4-phenoxyphenyl)-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol.
What is the SMILES notation for 8,9-dimethoxy-6-(4-phenoxyphenyl)-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol?
The canonical SMILES for 8,9-dimethoxy-6-(4-phenoxyphenyl)-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol is COc1cc2c(cc1OC)C1CC(O)CCC1N=C2c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 8,9-dimethoxy-6-(4-phenoxyphenyl)-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol?
The InChIKey is DQKJNYJVNPEWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27NO4/c1-30-25-15-21-22-14-18(29)10-13-24(22)28-27(23(21)16-26(25)31-2)17-8-11-20(12-9-17)32-19-6-4-3-5-7-19/h3-9,11-12,15-16,18,22,24,29H,10,13-14H2,1-2H3.
What are the key properties of 8,9-dimethoxy-6-(4-phenoxyphenyl)-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol?
8,9-dimethoxy-6-(4-phenoxyphenyl)-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol has a molecular weight of 429.52 g/mol, XLogP of 5.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-dimethoxy-6-(4-phenoxyphenyl)-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol is sourced from PubChem (CID 10094165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).