1-[2-(2-bromophenyl)ethyl]naphthalen-2-ol

C18H15BrO — CID 177465665

IUPAC1-[2-(2-bromophenyl)ethyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1CCc1ccccc1Br
InChIInChI=1S/C18H15BrO/c19-17-8-4-2-6-14(17)9-11-16-15-7-3-1-5-13(15)10-12-18(16)20/h1-8,10,12,20H,9,11H2
InChIKeyPGFNALIZTINIJD-UHFFFAOYSA-N
MW327.22 g/mol
LogP5.09
Rot. Bonds3

About 1-[2-(2-bromophenyl)ethyl]naphthalen-2-ol

1-[2-(2-bromophenyl)ethyl]naphthalen-2-ol (PubChem CID 177465665) has the molecular formula C18H15BrO and a molecular weight of 327.22 g/mol. Its IUPAC name is 1-[2-(2-bromophenyl)ethyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[2-(2-bromophenyl)ethyl]naphthalen-2-ol
PubChem CID177465665
Molecular FormulaC18H15BrO
Molecular Weight327.22 g/mol
Exact Mass326.03
IUPAC Name1-[2-(2-bromophenyl)ethyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1CCc1ccccc1Br
InChIInChI=1S/C18H15BrO/c19-17-8-4-2-6-14(17)9-11-16-15-7-3-1-5-13(15)10-12-18(16)20/h1-8,10,12,20H,9,11H2
InChIKeyPGFNALIZTINIJD-UHFFFAOYSA-N
XLogP5.09
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.22
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-bromophenyl)ethyl]naphthalen-2-ol?
The IUPAC name of 1-[2-(2-bromophenyl)ethyl]naphthalen-2-ol (CID 177465665) is 1-[2-(2-bromophenyl)ethyl]naphthalen-2-ol.
What is the SMILES notation for 1-[2-(2-bromophenyl)ethyl]naphthalen-2-ol?
The canonical SMILES for 1-[2-(2-bromophenyl)ethyl]naphthalen-2-ol is Oc1ccc2ccccc2c1CCc1ccccc1Br.
What is the InChIKey of 1-[2-(2-bromophenyl)ethyl]naphthalen-2-ol?
The InChIKey is PGFNALIZTINIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrO/c19-17-8-4-2-6-14(17)9-11-16-15-7-3-1-5-13(15)10-12-18(16)20/h1-8,10,12,20H,9,11H2.
What are the key properties of 1-[2-(2-bromophenyl)ethyl]naphthalen-2-ol?
1-[2-(2-bromophenyl)ethyl]naphthalen-2-ol has a molecular weight of 327.22 g/mol, XLogP of 5.09, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-bromophenyl)ethyl]naphthalen-2-ol is sourced from PubChem (CID 177465665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).