2H-naphthalen-1-one;hydrobromide

C10H9BrO — CID 21419388

IUPAC2H-naphthalen-1-one;hydrobromide
SMILESBr.O=C1CC=Cc2ccccc21
InChIInChI=1S/C10H8O.BrH/c11-10-7-3-5-8-4-1-2-6-9(8)10;/h1-6H,7H2;1H
InChIKeyCKHBZUDDXHAQLE-UHFFFAOYSA-N
MW225.09 g/mol
LogP2.86
Rot. Bonds

About 2H-naphthalen-1-one;hydrobromide

2H-naphthalen-1-one;hydrobromide (PubChem CID 21419388) has the molecular formula C10H9BrO and a molecular weight of 225.09 g/mol. Its IUPAC name is 2H-naphthalen-1-one;hydrobromide.

Molecular Properties

Compound Name2H-naphthalen-1-one;hydrobromide
PubChem CID21419388
Molecular FormulaC10H9BrO
Molecular Weight225.09 g/mol
Exact Mass223.98
IUPAC Name2H-naphthalen-1-one;hydrobromide
SMILESBr.O=C1CC=Cc2ccccc21
InChIInChI=1S/C10H8O.BrH/c11-10-7-3-5-8-4-1-2-6-9(8)10;/h1-6H,7H2;1H
InChIKeyCKHBZUDDXHAQLE-UHFFFAOYSA-N
XLogP2.86
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.09
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 87342154
3,4-dihydrocyclopenta[a]naphthalen-5-one
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CID 141084828
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(6S)-6-methyl-6,7-dihydrobenzo[7]annulen-5-one
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hydrogen peroxide;1H-indene;hydrobromide
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1-(methoxymethylidene)-2H-naphthalene
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Frequently Asked Questions

What is the IUPAC name of 2H-naphthalen-1-one;hydrobromide?
The IUPAC name of 2H-naphthalen-1-one;hydrobromide (CID 21419388) is 2H-naphthalen-1-one;hydrobromide.
What is the SMILES notation for 2H-naphthalen-1-one;hydrobromide?
The canonical SMILES for 2H-naphthalen-1-one;hydrobromide is Br.O=C1CC=Cc2ccccc21.
What is the InChIKey of 2H-naphthalen-1-one;hydrobromide?
The InChIKey is CKHBZUDDXHAQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O.BrH/c11-10-7-3-5-8-4-1-2-6-9(8)10;/h1-6H,7H2;1H.
What are the key properties of 2H-naphthalen-1-one;hydrobromide?
2H-naphthalen-1-one;hydrobromide has a molecular weight of 225.09 g/mol, XLogP of 2.86, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-naphthalen-1-one;hydrobromide is sourced from PubChem (CID 21419388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).