3-bromo-2-naphthalen-1-ylinden-1-one

C19H11BrO — CID 13310220

IUPAC3-bromo-2-naphthalen-1-ylinden-1-one
SMILESO=C1C(c2cccc3ccccc23)=C(Br)c2ccccc21
InChIInChI=1S/C19H11BrO/c20-18-15-9-3-4-10-16(15)19(21)17(18)14-11-5-7-12-6-1-2-8-13(12)14/h1-11H
InChIKeyGSKFHPZCHJXSQF-UHFFFAOYSA-N
MW335.20 g/mol
LogP5.30
Rot. Bonds1

About 3-bromo-2-naphthalen-1-ylinden-1-one

3-bromo-2-naphthalen-1-ylinden-1-one (PubChem CID 13310220) has the molecular formula C19H11BrO and a molecular weight of 335.20 g/mol. Its IUPAC name is 3-bromo-2-naphthalen-1-ylinden-1-one.

Molecular Properties

Compound Name3-bromo-2-naphthalen-1-ylinden-1-one
PubChem CID13310220
Molecular FormulaC19H11BrO
Molecular Weight335.20 g/mol
Exact Mass334.00
IUPAC Name3-bromo-2-naphthalen-1-ylinden-1-one
SMILESO=C1C(c2cccc3ccccc23)=C(Br)c2ccccc21
InChIInChI=1S/C19H11BrO/c20-18-15-9-3-4-10-16(15)19(21)17(18)14-11-5-7-12-6-1-2-8-13(12)14/h1-11H
InChIKeyGSKFHPZCHJXSQF-UHFFFAOYSA-N
XLogP5.30
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.20
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

2-(2,6-dimethoxyphenyl)-3-naphthalen-1-ylnaphthalene-1,4-dione
CID 102377956
2,3-dinaphthalen-1-ylcyclohexa-2,5-diene-1,4-dione
CID 22501380
CID 175282704
CID 175282704
bis(1-naphthalen-1-ylnaphthalene);phosphane
CID 175426418
tetrakis(1-naphthalen-1-ylnaphthalene);tetrahydrochloride
CID 173126408
1-naphthalen-1-ylnaphthalene;tetrahydrochloride
CID 68981096
1-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)naphthalene
CID 59169251
2,3-dinaphthalen-1-ylcycloprop-2-en-1-one
CID 11034120
2-bromo-1-naphthalen-1-ylnaphthalene
CID 620109
3-naphthalen-1-ylindeno[1,2-c]pyridazin-5-one
CID 10335421
1-(2,5-dibromo-4-naphthalen-1-ylphenyl)naphthalene
CID 18454866
3-bromo-2-phenylazulene-1,5-dione
CID 15195207

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-naphthalen-1-ylinden-1-one?
The IUPAC name of 3-bromo-2-naphthalen-1-ylinden-1-one (CID 13310220) is 3-bromo-2-naphthalen-1-ylinden-1-one.
What is the SMILES notation for 3-bromo-2-naphthalen-1-ylinden-1-one?
The canonical SMILES for 3-bromo-2-naphthalen-1-ylinden-1-one is O=C1C(c2cccc3ccccc23)=C(Br)c2ccccc21.
What is the InChIKey of 3-bromo-2-naphthalen-1-ylinden-1-one?
The InChIKey is GSKFHPZCHJXSQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11BrO/c20-18-15-9-3-4-10-16(15)19(21)17(18)14-11-5-7-12-6-1-2-8-13(12)14/h1-11H.
What are the key properties of 3-bromo-2-naphthalen-1-ylinden-1-one?
3-bromo-2-naphthalen-1-ylinden-1-one has a molecular weight of 335.20 g/mol, XLogP of 5.30, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-naphthalen-1-ylinden-1-one is sourced from PubChem (CID 13310220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).