1-(3,8-dimethylazulen-5-yl)ethanone

C14H14O — CID 15109166

IUPAC1-(3,8-dimethylazulen-5-yl)ethanone
SMILESCC(=O)c1ccc(C)c2ccc(C)c-2c1
InChIInChI=1S/C14H14O/c1-9-4-6-12(11(3)15)8-14-10(2)5-7-13(9)14/h4-8H,1-3H3
InChIKeyZZVZGSYEPXXGHA-UHFFFAOYSA-N
MW198.26 g/mol
LogP3.61
Rot. Bonds1

About 1-(3,8-dimethylazulen-5-yl)ethanone

1-(3,8-dimethylazulen-5-yl)ethanone (PubChem CID 15109166) has the molecular formula C14H14O and a molecular weight of 198.26 g/mol. Its IUPAC name is 1-(3,8-dimethylazulen-5-yl)ethanone.

Molecular Properties

Compound Name1-(3,8-dimethylazulen-5-yl)ethanone
PubChem CID15109166
Molecular FormulaC14H14O
Molecular Weight198.26 g/mol
Exact Mass198.10
IUPAC Name1-(3,8-dimethylazulen-5-yl)ethanone
SMILESCC(=O)c1ccc(C)c2ccc(C)c-2c1
InChIInChI=1S/C14H14O/c1-9-4-6-12(11(3)15)8-14-10(2)5-7-13(9)14/h4-8H,1-3H3
InChIKeyZZVZGSYEPXXGHA-UHFFFAOYSA-N
XLogP3.61
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[3-(5-acetyl-2-methylphenyl)-4-methylphenyl]ethanone
CID 53409856
1-[4-methyl-3-[4-(trifluoromethoxy)phenyl]phenyl]ethanone
CID 172649659
3-(4-fluoro-2-methylphenyl)-4-methylbenzoic acid
CID 81476549
1-(4-acetyl-3-methylphenyl)ethanone;1-(4-acetylphenyl)ethanone
CID 54481190
3-(4-methoxy-2-methylphenyl)-4-methylbenzoic acid
CID 81476317
1-[4-methyl-3-(3-propan-2-yloxyphenyl)phenyl]ethanone
CID 172649649
1-[3-(3-ethoxyphenyl)-4-methylphenyl]ethanone
CID 148749091
1-[4-(5-acetyl-2-phenylphenyl)phenyl]ethanone
CID 141053686
1-(3,4-dimethylphenyl)ethanone;1-(3-ethyl-4-methylphenyl)ethanone
CID 159972126
1-(4-chloro-3-methylphenyl)ethanone;ethane
CID 143383173
sodium 1-(3-methyl-4-sulfanylphenyl)ethanone
CID 22351836
1-[4-methyl-3-(propan-2-ylamino)phenyl]ethanone
CID 59080758

Frequently Asked Questions

What is the IUPAC name of 1-(3,8-dimethylazulen-5-yl)ethanone?
The IUPAC name of 1-(3,8-dimethylazulen-5-yl)ethanone (CID 15109166) is 1-(3,8-dimethylazulen-5-yl)ethanone.
What is the SMILES notation for 1-(3,8-dimethylazulen-5-yl)ethanone?
The canonical SMILES for 1-(3,8-dimethylazulen-5-yl)ethanone is CC(=O)c1ccc(C)c2ccc(C)c-2c1.
What is the InChIKey of 1-(3,8-dimethylazulen-5-yl)ethanone?
The InChIKey is ZZVZGSYEPXXGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O/c1-9-4-6-12(11(3)15)8-14-10(2)5-7-13(9)14/h4-8H,1-3H3.
What are the key properties of 1-(3,8-dimethylazulen-5-yl)ethanone?
1-(3,8-dimethylazulen-5-yl)ethanone has a molecular weight of 198.26 g/mol, XLogP of 3.61, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,8-dimethylazulen-5-yl)ethanone is sourced from PubChem (CID 15109166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).