methanol;6-methoxy-3,4-dihydro-1H-naphthalen-2-one;3-[(6-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]pyridine;6-methoxy-1-(pyridin-3-ylmethyl)-3,4-dihydro-1H-naphthalen-2-one;6-methoxy-1-(pyridin-3-ylmethylidene)-3,4-dihydronaphthalen-2-one;pyridine-3-carbaldehyde

C70H74N4O9 — CID 91022348

IUPACmethanol;6-methoxy-3,4-dihydro-1H-naphthalen-2-one;3-[(6-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]pyridine;6-methoxy-1-(pyridin-3-ylmethyl)-3,4-dihydro-1H-naphthalen-2-one;6-methoxy-1-(pyridin-3-ylmethylidene)-3,4-dihydronaphthalen-2-one;pyridine-3-carbaldehyde
SMILESCO.COc1ccc2c(c1)CCC(=O)C2.COc1ccc2c(c1)CCC(=O)C2=Cc1cccnc1.COc1ccc2c(c1)CCC(=O)C2Cc1cccnc1.COc1ccc2c(c1)CCC(C)C2Cc1cccnc1.O=Cc1cccnc1
InChIInChI=1S/C18H21NO.C17H17NO2.C17H15NO2.C11H12O2.C6H5NO.CH4O/c1-13-5-6-15-11-16(20-2)7-8-17(15)18(13)10-14-4-3-9-19-12-14;2*1-20-14-5-6-15-13(10-14)4-7-17(19)16(15)9-12-3-2-8-18-11-12;1-13-11-5-3-8-6-10(12)4-2-9(8)7-11;8-5-6-2-1-3-7-4-6;1-2/h3-4,7-9,11-13,18H,5-6,10H2,1-2H3;2-3,5-6,8,10-11,16H,4,7,9H2,1H3;2-3,5-6,8-11H,4,7H2,1H3;3,5,7H,2,4,6H2,1H3;1-5H;2H,1H3
InChIKeyUWHKIWFDEZVJCL-UHFFFAOYSA-N
MW1115.38 g/mol
LogP12.33
Rot. Bonds10

About methanol;6-methoxy-3,4-dihydro-1H-naphthalen-2-one;3-[(6-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]pyridine;6-methoxy-1-(pyridin-3-ylmethyl)-3,4-dihydro-1H-naphthalen-2-one;6-methoxy-1-(pyridin-3-ylmethylidene)-3,4-dihydronaphthalen-2-one;pyridine-3-carbaldehyde

methanol;6-methoxy-3,4-dihydro-1H-naphthalen-2-one;3-[(6-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]pyridine;6-methoxy-1-(pyridin-3-ylmethyl)-3,4-dihydro-1H-naphthalen-2-one;6-methoxy-1-(pyridin-3-ylmethylidene)-3,4-dihydronaphthalen-2-one;pyridine-3-carbaldehyde (PubChem CID 91022348) has the molecular formula C70H74N4O9 and a molecular weight of 1115.38 g/mol. Its IUPAC name is methanol;6-methoxy-3,4-dihydro-1H-naphthalen-2-one;3-[(6-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]pyridine;6-methoxy-1-(pyridin-3-ylmethyl)-3,4-dihydro-1H-naphthalen-2-one;6-methoxy-1-(pyridin-3-ylmethylidene)-3,4-dihydronaphthalen-2-one;pyridine-3-carbaldehyde.

Molecular Properties

Compound Namemethanol;6-methoxy-3,4-dihydro-1H-naphthalen-2-one;3-[(6-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]pyridine;6-methoxy-1-(pyridin-3-ylmethyl)-3,4-dihydro-1H-naphthalen-2-one;6-methoxy-1-(pyridin-3-ylmethylidene)-3,4-dihydronaphthalen-2-one;pyridine-3-carbaldehyde
PubChem CID91022348
Molecular FormulaC70H74N4O9
Molecular Weight1115.38 g/mol
Exact Mass1114.55
IUPAC Namemethanol;6-methoxy-3,4-dihydro-1H-naphthalen-2-one;3-[(6-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]pyridine;6-methoxy-1-(pyridin-3-ylmethyl)-3,4-dihydro-1H-naphthalen-2-one;6-methoxy-1-(pyridin-3-ylmethylidene)-3,4-dihydronaphthalen-2-one;pyridine-3-carbaldehyde
SMILESCO.COc1ccc2c(c1)CCC(=O)C2.COc1ccc2c(c1)CCC(=O)C2=Cc1cccnc1.COc1ccc2c(c1)CCC(=O)C2Cc1cccnc1.COc1ccc2c(c1)CCC(C)C2Cc1cccnc1.O=Cc1cccnc1
InChIInChI=1S/C18H21NO.C17H17NO2.C17H15NO2.C11H12O2.C6H5NO.CH4O/c1-13-5-6-15-11-16(20-2)7-8-17(15)18(13)10-14-4-3-9-19-12-14;2*1-20-14-5-6-15-13(10-14)4-7-17(19)16(15)9-12-3-2-8-18-11-12;1-13-11-5-3-8-6-10(12)4-2-9(8)7-11;8-5-6-2-1-3-7-4-6;1-2/h3-4,7-9,11-13,18H,5-6,10H2,1-2H3;2-3,5-6,8,10-11,16H,4,7,9H2,1H3;2-3,5-6,8-11H,4,7H2,1H3;3,5,7H,2,4,6H2,1H3;1-5H;2H,1H3
InChIKeyUWHKIWFDEZVJCL-UHFFFAOYSA-N
XLogP12.33
TPSA176.99 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds10
Heavy Atoms83
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001115.38
LogP ≤ 512.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze methanol;6-methoxy-3,4-dihydro-1H-naphthalen-2-one;3-[(6-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]pyridine;6-methoxy-1-(pyridin-3-ylmethyl)-3,4-dihydro-1H-naphthalen-2-one;6-methoxy-1-(pyridin-3-ylmethylidene)-3,4-dihydronaphthalen-2-one;pyridine-3-carbaldehyde with MolForge

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Related Compounds

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cumene;N-[2,6-di(propan-2-yl)phenyl]-1-(2-propan-2-ylphenyl)methanimine;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;tris(1-methyl-2-propan-2-ylbenzene);bis(1-methyl-3-propan-2-ylbenzene);bis(1-methyl-4-propan-2-ylbenzene);2-methyl-5-propan-2-ylpyridine;1,2,3,4,5-pentafluoro-6-propan-2-ylbenzene;1-phenyl-2-propan-2-ylbenzene;1-propan-2-yl-3,5-bis(trifluoromethyl)benzene;propan-2-ylcyclohexane;2-propan-2-ylfuran;(2-propan-2-ylphenyl)methanol;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)benzene
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Bis(1,3-difluoro-2,5-dimethylbenzene);1,4-difluoro-2,5-dimethylbenzene;2,3-difluoro-1,4-dimethylbenzene;bis(1,1-difluoro-2,5-dimethylcyclohexane);3,4-difluoro-1-methoxy-2,5-dimethylbenzene;2,5-dimethylbenzaldehyde;1,4-dimethylcyclohexane;tris(2,5-dimethylpyridine);bis(2-fluoro-1,4-dimethylbenzene);bis(1-fluoro-1,4-dimethylcyclohexane);bis(2-fluoro-3,6-dimethylpyridine);1,2,4,5-tetrafluoro-3,6-dimethylbenzene;bis(1,1,2,5-tetramethylcyclohexane);bis(1,2,4-trimethylbenzene);bis(1,1,4-trimethylcyclohexane);bis(2,3,6-trimethylpyridine);tris(1,4-xylene)
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1-[2-(Difluoromethoxy)phenyl]-3-[3-(hydroxymethyl)-4-pyridin-4-ylphenyl]propan-2-one;1-[3-(hydroxymethyl)-4-pyridin-4-ylphenyl]-3-(3-methoxyphenyl)propan-2-one;1-[3-(hydroxymethyl)-4-pyridin-4-ylphenyl]-3-phenylpropan-2-one;1-[3-(hydroxymethyl)-4-pyridin-4-ylphenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one
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Frequently Asked Questions

What is the IUPAC name of methanol;6-methoxy-3,4-dihydro-1H-naphthalen-2-one;3-[(6-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]pyridine;6-methoxy-1-(pyridin-3-ylmethyl)-3,4-dihydro-1H-naphthalen-2-one;6-methoxy-1-(pyridin-3-ylmethylidene)-3,4-dihydronaphthalen-2-one;pyridine-3-carbaldehyde?
The IUPAC name of methanol;6-methoxy-3,4-dihydro-1H-naphthalen-2-one;3-[(6-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]pyridine;6-methoxy-1-(pyridin-3-ylmethyl)-3,4-dihydro-1H-naphthalen-2-one;6-methoxy-1-(pyridin-3-ylmethylidene)-3,4-dihydronaphthalen-2-one;pyridine-3-carbaldehyde (CID 91022348) is methanol;6-methoxy-3,4-dihydro-1H-naphthalen-2-one;3-[(6-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]pyridine;6-methoxy-1-(pyridin-3-ylmethyl)-3,4-dihydro-1H-naphthalen-2-one;6-methoxy-1-(pyridin-3-ylmethylidene)-3,4-dihydronaphthalen-2-one;pyridine-3-carbaldehyde.
What is the SMILES notation for methanol;6-methoxy-3,4-dihydro-1H-naphthalen-2-one;3-[(6-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]pyridine;6-methoxy-1-(pyridin-3-ylmethyl)-3,4-dihydro-1H-naphthalen-2-one;6-methoxy-1-(pyridin-3-ylmethylidene)-3,4-dihydronaphthalen-2-one;pyridine-3-carbaldehyde?
The canonical SMILES for methanol;6-methoxy-3,4-dihydro-1H-naphthalen-2-one;3-[(6-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]pyridine;6-methoxy-1-(pyridin-3-ylmethyl)-3,4-dihydro-1H-naphthalen-2-one;6-methoxy-1-(pyridin-3-ylmethylidene)-3,4-dihydronaphthalen-2-one;pyridine-3-carbaldehyde is CO.COc1ccc2c(c1)CCC(=O)C2.COc1ccc2c(c1)CCC(=O)C2=Cc1cccnc1.COc1ccc2c(c1)CCC(=O)C2Cc1cccnc1.COc1ccc2c(c1)CCC(C)C2Cc1cccnc1.O=Cc1cccnc1.
What is the InChIKey of methanol;6-methoxy-3,4-dihydro-1H-naphthalen-2-one;3-[(6-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]pyridine;6-methoxy-1-(pyridin-3-ylmethyl)-3,4-dihydro-1H-naphthalen-2-one;6-methoxy-1-(pyridin-3-ylmethylidene)-3,4-dihydronaphthalen-2-one;pyridine-3-carbaldehyde?
The InChIKey is UWHKIWFDEZVJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO.C17H17NO2.C17H15NO2.C11H12O2.C6H5NO.CH4O/c1-13-5-6-15-11-16(20-2)7-8-17(15)18(13)10-14-4-3-9-19-12-14;2*1-20-14-5-6-15-13(10-14)4-7-17(19)16(15)9-12-3-2-8-18-11-12;1-13-11-5-3-8-6-10(12)4-2-9(8)7-11;8-5-6-2-1-3-7-4-6;1-2/h3-4,7-9,11-13,18H,5-6,10H2,1-2H3;2-3,5-6,8,10-11,16H,4,7,9H2,1H3;2-3,5-6,8-11H,4,7H2,1H3;3,5,7H,2,4,6H2,1H3;1-5H;2H,1H3.
What are the key properties of methanol;6-methoxy-3,4-dihydro-1H-naphthalen-2-one;3-[(6-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]pyridine;6-methoxy-1-(pyridin-3-ylmethyl)-3,4-dihydro-1H-naphthalen-2-one;6-methoxy-1-(pyridin-3-ylmethylidene)-3,4-dihydronaphthalen-2-one;pyridine-3-carbaldehyde?
methanol;6-methoxy-3,4-dihydro-1H-naphthalen-2-one;3-[(6-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]pyridine;6-methoxy-1-(pyridin-3-ylmethyl)-3,4-dihydro-1H-naphthalen-2-one;6-methoxy-1-(pyridin-3-ylmethylidene)-3,4-dihydronaphthalen-2-one;pyridine-3-carbaldehyde has a molecular weight of 1115.38 g/mol, XLogP of 12.33, 10 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;6-methoxy-3,4-dihydro-1H-naphthalen-2-one;3-[(6-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]pyridine;6-methoxy-1-(pyridin-3-ylmethyl)-3,4-dihydro-1H-naphthalen-2-one;6-methoxy-1-(pyridin-3-ylmethylidene)-3,4-dihydronaphthalen-2-one;pyridine-3-carbaldehyde is sourced from PubChem (CID 91022348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).