2-bromo-7-methyl-4-phenyl-1-propylnaphthalene

C20H19Br — CID 141375102

IUPAC2-bromo-7-methyl-4-phenyl-1-propylnaphthalene
SMILESCCCc1c(Br)cc(-c2ccccc2)c2ccc(C)cc12
InChIInChI=1S/C20H19Br/c1-3-7-17-19-12-14(2)10-11-16(19)18(13-20(17)21)15-8-5-4-6-9-15/h4-6,8-13H,3,7H2,1-2H3
InChIKeyOJLABIDIUNBBCQ-UHFFFAOYSA-N
MW339.28 g/mol
LogP6.53
Rot. Bonds3

About 2-bromo-7-methyl-4-phenyl-1-propylnaphthalene

2-bromo-7-methyl-4-phenyl-1-propylnaphthalene (PubChem CID 141375102) has the molecular formula C20H19Br and a molecular weight of 339.28 g/mol. Its IUPAC name is 2-bromo-7-methyl-4-phenyl-1-propylnaphthalene.

Molecular Properties

Compound Name2-bromo-7-methyl-4-phenyl-1-propylnaphthalene
PubChem CID141375102
Molecular FormulaC20H19Br
Molecular Weight339.28 g/mol
Exact Mass338.07
IUPAC Name2-bromo-7-methyl-4-phenyl-1-propylnaphthalene
SMILESCCCc1c(Br)cc(-c2ccccc2)c2ccc(C)cc12
InChIInChI=1S/C20H19Br/c1-3-7-17-19-12-14(2)10-11-16(19)18(13-20(17)21)15-8-5-4-6-9-15/h4-6,8-13H,3,7H2,1-2H3
InChIKeyOJLABIDIUNBBCQ-UHFFFAOYSA-N
XLogP6.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.28
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-7-methyl-4-phenyl-1-propylnaphthalene?
The IUPAC name of 2-bromo-7-methyl-4-phenyl-1-propylnaphthalene (CID 141375102) is 2-bromo-7-methyl-4-phenyl-1-propylnaphthalene.
What is the SMILES notation for 2-bromo-7-methyl-4-phenyl-1-propylnaphthalene?
The canonical SMILES for 2-bromo-7-methyl-4-phenyl-1-propylnaphthalene is CCCc1c(Br)cc(-c2ccccc2)c2ccc(C)cc12.
What is the InChIKey of 2-bromo-7-methyl-4-phenyl-1-propylnaphthalene?
The InChIKey is OJLABIDIUNBBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Br/c1-3-7-17-19-12-14(2)10-11-16(19)18(13-20(17)21)15-8-5-4-6-9-15/h4-6,8-13H,3,7H2,1-2H3.
What are the key properties of 2-bromo-7-methyl-4-phenyl-1-propylnaphthalene?
2-bromo-7-methyl-4-phenyl-1-propylnaphthalene has a molecular weight of 339.28 g/mol, XLogP of 6.53, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-7-methyl-4-phenyl-1-propylnaphthalene is sourced from PubChem (CID 141375102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).