1-(4-bromo-8-prop-1-en-2-ylnaphthalen-1-yl)ethanone

C15H13BrO — CID 142402741

IUPAC1-(4-bromo-8-prop-1-en-2-ylnaphthalen-1-yl)ethanone
SMILESC=C(C)c1cccc2c(Br)ccc(C(C)=O)c12
InChIInChI=1S/C15H13BrO/c1-9(2)11-5-4-6-13-14(16)8-7-12(10(3)17)15(11)13/h4-8H,1H2,2-3H3
InChIKeyQNUKECPERNGMSS-UHFFFAOYSA-N
MW289.17 g/mol
LogP4.84
Rot. Bonds2

About 1-(4-bromo-8-prop-1-en-2-ylnaphthalen-1-yl)ethanone

1-(4-bromo-8-prop-1-en-2-ylnaphthalen-1-yl)ethanone (PubChem CID 142402741) has the molecular formula C15H13BrO and a molecular weight of 289.17 g/mol. Its IUPAC name is 1-(4-bromo-8-prop-1-en-2-ylnaphthalen-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-bromo-8-prop-1-en-2-ylnaphthalen-1-yl)ethanone
PubChem CID142402741
Molecular FormulaC15H13BrO
Molecular Weight289.17 g/mol
Exact Mass288.01
IUPAC Name1-(4-bromo-8-prop-1-en-2-ylnaphthalen-1-yl)ethanone
SMILESC=C(C)c1cccc2c(Br)ccc(C(C)=O)c12
InChIInChI=1S/C15H13BrO/c1-9(2)11-5-4-6-13-14(16)8-7-12(10(3)17)15(11)13/h4-8H,1H2,2-3H3
InChIKeyQNUKECPERNGMSS-UHFFFAOYSA-N
XLogP4.84
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.17
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-8-prop-1-en-2-ylnaphthalen-1-yl)ethanone?
The IUPAC name of 1-(4-bromo-8-prop-1-en-2-ylnaphthalen-1-yl)ethanone (CID 142402741) is 1-(4-bromo-8-prop-1-en-2-ylnaphthalen-1-yl)ethanone.
What is the SMILES notation for 1-(4-bromo-8-prop-1-en-2-ylnaphthalen-1-yl)ethanone?
The canonical SMILES for 1-(4-bromo-8-prop-1-en-2-ylnaphthalen-1-yl)ethanone is C=C(C)c1cccc2c(Br)ccc(C(C)=O)c12.
What is the InChIKey of 1-(4-bromo-8-prop-1-en-2-ylnaphthalen-1-yl)ethanone?
The InChIKey is QNUKECPERNGMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrO/c1-9(2)11-5-4-6-13-14(16)8-7-12(10(3)17)15(11)13/h4-8H,1H2,2-3H3.
What are the key properties of 1-(4-bromo-8-prop-1-en-2-ylnaphthalen-1-yl)ethanone?
1-(4-bromo-8-prop-1-en-2-ylnaphthalen-1-yl)ethanone has a molecular weight of 289.17 g/mol, XLogP of 4.84, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-8-prop-1-en-2-ylnaphthalen-1-yl)ethanone is sourced from PubChem (CID 142402741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).