1-phenyl-6-phenylmethoxy-3,4-dihydroisoquinoline

C22H19NO — CID 11045230

IUPAC1-phenyl-6-phenylmethoxy-3,4-dihydroisoquinoline
SMILESc1ccc(COc2ccc3c(c2)CCN=C3c2ccccc2)cc1
InChIInChI=1S/C22H19NO/c1-3-7-17(8-4-1)16-24-20-11-12-21-19(15-20)13-14-23-22(21)18-9-5-2-6-10-18/h1-12,15H,13-14,16H2
InChIKeyXIFWFPVPYBVVFC-UHFFFAOYSA-N
MW313.40 g/mol
LogP4.66
Rot. Bonds4

About 1-phenyl-6-phenylmethoxy-3,4-dihydroisoquinoline

1-phenyl-6-phenylmethoxy-3,4-dihydroisoquinoline (PubChem CID 11045230) has the molecular formula C22H19NO and a molecular weight of 313.40 g/mol. Its IUPAC name is 1-phenyl-6-phenylmethoxy-3,4-dihydroisoquinoline.

Molecular Properties

Compound Name1-phenyl-6-phenylmethoxy-3,4-dihydroisoquinoline
PubChem CID11045230
Molecular FormulaC22H19NO
Molecular Weight313.40 g/mol
Exact Mass313.15
IUPAC Name1-phenyl-6-phenylmethoxy-3,4-dihydroisoquinoline
SMILESc1ccc(COc2ccc3c(c2)CCN=C3c2ccccc2)cc1
InChIInChI=1S/C22H19NO/c1-3-7-17(8-4-1)16-24-20-11-12-21-19(15-20)13-14-23-22(21)18-9-5-2-6-10-18/h1-12,15H,13-14,16H2
InChIKeyXIFWFPVPYBVVFC-UHFFFAOYSA-N
XLogP4.66
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-6-phenylmethoxy-3,4-dihydroisoquinoline?
The IUPAC name of 1-phenyl-6-phenylmethoxy-3,4-dihydroisoquinoline (CID 11045230) is 1-phenyl-6-phenylmethoxy-3,4-dihydroisoquinoline.
What is the SMILES notation for 1-phenyl-6-phenylmethoxy-3,4-dihydroisoquinoline?
The canonical SMILES for 1-phenyl-6-phenylmethoxy-3,4-dihydroisoquinoline is c1ccc(COc2ccc3c(c2)CCN=C3c2ccccc2)cc1.
What is the InChIKey of 1-phenyl-6-phenylmethoxy-3,4-dihydroisoquinoline?
The InChIKey is XIFWFPVPYBVVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO/c1-3-7-17(8-4-1)16-24-20-11-12-21-19(15-20)13-14-23-22(21)18-9-5-2-6-10-18/h1-12,15H,13-14,16H2.
What are the key properties of 1-phenyl-6-phenylmethoxy-3,4-dihydroisoquinoline?
1-phenyl-6-phenylmethoxy-3,4-dihydroisoquinoline has a molecular weight of 313.40 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-6-phenylmethoxy-3,4-dihydroisoquinoline is sourced from PubChem (CID 11045230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).