9-methoxy-2-phenyl-5,6-dihydrobenzo[f]isoquinoline

C20H17NO — CID 102237047

IUPAC9-methoxy-2-phenyl-5,6-dihydrobenzo[f]isoquinoline
SMILESCOc1ccc2c(c1)-c1cc(-c3ccccc3)ncc1CC2
InChIInChI=1S/C20H17NO/c1-22-17-10-9-14-7-8-16-13-21-20(12-19(16)18(14)11-17)15-5-3-2-4-6-15/h2-6,9-13H,7-8H2,1H3
InChIKeyYFXHMSLUWOQNBE-UHFFFAOYSA-N
MW287.36 g/mol
LogP4.52
Rot. Bonds2

About 9-methoxy-2-phenyl-5,6-dihydrobenzo[f]isoquinoline

9-methoxy-2-phenyl-5,6-dihydrobenzo[f]isoquinoline (PubChem CID 102237047) has the molecular formula C20H17NO and a molecular weight of 287.36 g/mol. Its IUPAC name is 9-methoxy-2-phenyl-5,6-dihydrobenzo[f]isoquinoline.

Molecular Properties

Compound Name9-methoxy-2-phenyl-5,6-dihydrobenzo[f]isoquinoline
PubChem CID102237047
Molecular FormulaC20H17NO
Molecular Weight287.36 g/mol
Exact Mass287.13
IUPAC Name9-methoxy-2-phenyl-5,6-dihydrobenzo[f]isoquinoline
SMILESCOc1ccc2c(c1)-c1cc(-c3ccccc3)ncc1CC2
InChIInChI=1S/C20H17NO/c1-22-17-10-9-14-7-8-16-13-21-20(12-19(16)18(14)11-17)15-5-3-2-4-6-15/h2-6,9-13H,7-8H2,1H3
InChIKeyYFXHMSLUWOQNBE-UHFFFAOYSA-N
XLogP4.52
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-methoxy-3-phenylisoquinoline
CID 68806176
(3Z)-5-methoxy-3-(6-methoxy-2,3-dihydroinden-1-ylidene)-1,2-dihydroindene
CID 125266195
3-phenyl-9H-indeno[2,1-c]pyridine
CID 155626331
ethane;5-methoxytricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-one
CID 90841573
5-bromo-4-methoxy-2-phenylpyridine
CID 139429745
6-(2,5-dimethoxyphenyl)-3-phenylpyrrolo[1,2-a]pyrazine
CID 122205726
N'-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)ethane-1,2-diamine
CID 103278870
2-(4-methoxyphenyl)-4,6-diphenylpyrimidine
CID 12706669
(5-methoxy-2-phenylphenyl)silane
CID 137328723
3,8-dimethoxy-5,10-diphenylindeno[2,1-a]indene
CID 101491428
4-(4-methoxyphenyl)-2-phenyl-5,6,7,8-tetrahydroquinoline
CID 13010672
5-fluoro-4-methoxy-2-phenylpyridine
CID 133096136

Frequently Asked Questions

What is the IUPAC name of 9-methoxy-2-phenyl-5,6-dihydrobenzo[f]isoquinoline?
The IUPAC name of 9-methoxy-2-phenyl-5,6-dihydrobenzo[f]isoquinoline (CID 102237047) is 9-methoxy-2-phenyl-5,6-dihydrobenzo[f]isoquinoline.
What is the SMILES notation for 9-methoxy-2-phenyl-5,6-dihydrobenzo[f]isoquinoline?
The canonical SMILES for 9-methoxy-2-phenyl-5,6-dihydrobenzo[f]isoquinoline is COc1ccc2c(c1)-c1cc(-c3ccccc3)ncc1CC2.
What is the InChIKey of 9-methoxy-2-phenyl-5,6-dihydrobenzo[f]isoquinoline?
The InChIKey is YFXHMSLUWOQNBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO/c1-22-17-10-9-14-7-8-16-13-21-20(12-19(16)18(14)11-17)15-5-3-2-4-6-15/h2-6,9-13H,7-8H2,1H3.
What are the key properties of 9-methoxy-2-phenyl-5,6-dihydrobenzo[f]isoquinoline?
9-methoxy-2-phenyl-5,6-dihydrobenzo[f]isoquinoline has a molecular weight of 287.36 g/mol, XLogP of 4.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-2-phenyl-5,6-dihydrobenzo[f]isoquinoline is sourced from PubChem (CID 102237047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).