1-(3-bromophenyl)naphthalene

C16H11Br — CID 22138047

IUPAC1-(3-bromophenyl)naphthalene
SMILESBrc1cccc(-c2cccc3ccccc23)c1
InChIInChI=1S/C16H11Br/c17-14-8-3-7-13(11-14)16-10-4-6-12-5-1-2-9-15(12)16/h1-11H
InChIKeyANPSUGBBTPJBLQ-UHFFFAOYSA-N
MW283.17 g/mol
LogP5.27
Rot. Bonds1

About 1-(3-bromophenyl)naphthalene

1-(3-bromophenyl)naphthalene (PubChem CID 22138047) has the molecular formula C16H11Br and a molecular weight of 283.17 g/mol. Its IUPAC name is 1-(3-bromophenyl)naphthalene.

Molecular Properties

Compound Name1-(3-bromophenyl)naphthalene
PubChem CID22138047
Molecular FormulaC16H11Br
Molecular Weight283.17 g/mol
Exact Mass282.00
IUPAC Name1-(3-bromophenyl)naphthalene
SMILESBrc1cccc(-c2cccc3ccccc23)c1
InChIInChI=1S/C16H11Br/c17-14-8-3-7-13(11-14)16-10-4-6-12-5-1-2-9-15(12)16/h1-11H
InChIKeyANPSUGBBTPJBLQ-UHFFFAOYSA-N
XLogP5.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.17
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)naphthalene?
The IUPAC name of 1-(3-bromophenyl)naphthalene (CID 22138047) is 1-(3-bromophenyl)naphthalene.
What is the SMILES notation for 1-(3-bromophenyl)naphthalene?
The canonical SMILES for 1-(3-bromophenyl)naphthalene is Brc1cccc(-c2cccc3ccccc23)c1.
What is the InChIKey of 1-(3-bromophenyl)naphthalene?
The InChIKey is ANPSUGBBTPJBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Br/c17-14-8-3-7-13(11-14)16-10-4-6-12-5-1-2-9-15(12)16/h1-11H.
What are the key properties of 1-(3-bromophenyl)naphthalene?
1-(3-bromophenyl)naphthalene has a molecular weight of 283.17 g/mol, XLogP of 5.27, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)naphthalene is sourced from PubChem (CID 22138047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).