3-(3-fluoro-4-methoxyphenyl)-1-[(2-fluorophenyl)methyl]-7-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalene

C26H26F2O2 — CID 59498611

IUPAC3-(3-fluoro-4-methoxyphenyl)-1-[(2-fluorophenyl)methyl]-7-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalene
SMILESCOc1ccc2c(c1)C(Cc1ccccc1F)C(C)C(c1ccc(OC)c(F)c1)C2
InChIInChI=1S/C26H26F2O2/c1-16-21(18-9-11-26(30-3)25(28)14-18)12-17-8-10-20(29-2)15-23(17)22(16)13-19-6-4-5-7-24(19)27/h4-11,14-16,21-22H,12-13H2,1-3H3
InChIKeyODHHNDJGILVROT-UHFFFAOYSA-N
MW408.49 g/mol
LogP6.28
Rot. Bonds5

About 3-(3-fluoro-4-methoxyphenyl)-1-[(2-fluorophenyl)methyl]-7-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalene

3-(3-fluoro-4-methoxyphenyl)-1-[(2-fluorophenyl)methyl]-7-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalene (PubChem CID 59498611) has the molecular formula C26H26F2O2 and a molecular weight of 408.49 g/mol. Its IUPAC name is 3-(3-fluoro-4-methoxyphenyl)-1-[(2-fluorophenyl)methyl]-7-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name3-(3-fluoro-4-methoxyphenyl)-1-[(2-fluorophenyl)methyl]-7-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalene
PubChem CID59498611
Molecular FormulaC26H26F2O2
Molecular Weight408.49 g/mol
Exact Mass408.19
IUPAC Name3-(3-fluoro-4-methoxyphenyl)-1-[(2-fluorophenyl)methyl]-7-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalene
SMILESCOc1ccc2c(c1)C(Cc1ccccc1F)C(C)C(c1ccc(OC)c(F)c1)C2
InChIInChI=1S/C26H26F2O2/c1-16-21(18-9-11-26(30-3)25(28)14-18)12-17-8-10-20(29-2)15-23(17)22(16)13-19-6-4-5-7-24(19)27/h4-11,14-16,21-22H,12-13H2,1-3H3
InChIKeyODHHNDJGILVROT-UHFFFAOYSA-N
XLogP6.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.49
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-methoxyphenyl)-1-[(2-fluorophenyl)methyl]-7-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 3-(3-fluoro-4-methoxyphenyl)-1-[(2-fluorophenyl)methyl]-7-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalene (CID 59498611) is 3-(3-fluoro-4-methoxyphenyl)-1-[(2-fluorophenyl)methyl]-7-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 3-(3-fluoro-4-methoxyphenyl)-1-[(2-fluorophenyl)methyl]-7-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 3-(3-fluoro-4-methoxyphenyl)-1-[(2-fluorophenyl)methyl]-7-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalene is COc1ccc2c(c1)C(Cc1ccccc1F)C(C)C(c1ccc(OC)c(F)c1)C2.
What is the InChIKey of 3-(3-fluoro-4-methoxyphenyl)-1-[(2-fluorophenyl)methyl]-7-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalene?
The InChIKey is ODHHNDJGILVROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F2O2/c1-16-21(18-9-11-26(30-3)25(28)14-18)12-17-8-10-20(29-2)15-23(17)22(16)13-19-6-4-5-7-24(19)27/h4-11,14-16,21-22H,12-13H2,1-3H3.
What are the key properties of 3-(3-fluoro-4-methoxyphenyl)-1-[(2-fluorophenyl)methyl]-7-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalene?
3-(3-fluoro-4-methoxyphenyl)-1-[(2-fluorophenyl)methyl]-7-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalene has a molecular weight of 408.49 g/mol, XLogP of 6.28, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-methoxyphenyl)-1-[(2-fluorophenyl)methyl]-7-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 59498611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).