1-(3-ethylazulen-1-yl)ethanone

C14H14O — CID 15255142

IUPAC1-(3-ethylazulen-1-yl)ethanone
SMILESCCc1cc(C(C)=O)c2cccccc1-2
InChIInChI=1S/C14H14O/c1-3-11-9-14(10(2)15)13-8-6-4-5-7-12(11)13/h4-9H,3H2,1-2H3
InChIKeyCVCHQXVCIYUGHD-UHFFFAOYSA-N
MW198.26 g/mol
LogP3.56
Rot. Bonds2

About 1-(3-ethylazulen-1-yl)ethanone

1-(3-ethylazulen-1-yl)ethanone (PubChem CID 15255142) has the molecular formula C14H14O and a molecular weight of 198.26 g/mol. Its IUPAC name is 1-(3-ethylazulen-1-yl)ethanone.

Molecular Properties

Compound Name1-(3-ethylazulen-1-yl)ethanone
PubChem CID15255142
Molecular FormulaC14H14O
Molecular Weight198.26 g/mol
Exact Mass198.10
IUPAC Name1-(3-ethylazulen-1-yl)ethanone
SMILESCCc1cc(C(C)=O)c2cccccc1-2
InChIInChI=1S/C14H14O/c1-3-11-9-14(10(2)15)13-8-6-4-5-7-12(11)13/h4-9H,3H2,1-2H3
InChIKeyCVCHQXVCIYUGHD-UHFFFAOYSA-N
XLogP3.56
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

methyl 3-acetylazulene-1-carboxylate
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acetic acid;1-ethyl-2-phenylbenzene
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2-bromo-1-(3-propylazulen-1-yl)ethanone
CID 10902381
1-(4,5-diethyl-2-methylphenyl)ethanone
CID 18705096
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CID 174788541
carbonic acid;1-ethyl-2-(2-phenylphenyl)benzene
CID 67179432
carbonic acid;1,2-diethylbenzene
CID 89388803
1-[3-phenyl-6-(2-phenylethyl)azulen-1-yl]ethanone
CID 122403819
1-[4-(diethylamino)-3-ethylnaphthalen-1-yl]ethanone
CID 15269387
1-[4-ethyl-2-(2-methylphenyl)phenyl]ethanone
CID 20665286

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylazulen-1-yl)ethanone?
The IUPAC name of 1-(3-ethylazulen-1-yl)ethanone (CID 15255142) is 1-(3-ethylazulen-1-yl)ethanone.
What is the SMILES notation for 1-(3-ethylazulen-1-yl)ethanone?
The canonical SMILES for 1-(3-ethylazulen-1-yl)ethanone is CCc1cc(C(C)=O)c2cccccc1-2.
What is the InChIKey of 1-(3-ethylazulen-1-yl)ethanone?
The InChIKey is CVCHQXVCIYUGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O/c1-3-11-9-14(10(2)15)13-8-6-4-5-7-12(11)13/h4-9H,3H2,1-2H3.
What are the key properties of 1-(3-ethylazulen-1-yl)ethanone?
1-(3-ethylazulen-1-yl)ethanone has a molecular weight of 198.26 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylazulen-1-yl)ethanone is sourced from PubChem (CID 15255142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).