1-(3-methoxyphenyl)-2-(3-methylcyclopenta-2,4-dien-1-yl)ethanone

C15H16O2 — CID 174473537

IUPAC1-(3-methoxyphenyl)-2-(3-methylcyclopenta-2,4-dien-1-yl)ethanone
SMILESCOc1cccc(C(=O)CC2C=CC(C)=C2)c1
InChIInChI=1S/C15H16O2/c1-11-6-7-12(8-11)9-15(16)13-4-3-5-14(10-13)17-2/h3-8,10,12H,9H2,1-2H3
InChIKeyCUXSLYSTYCXBKW-UHFFFAOYSA-N
MW228.29 g/mol
LogP3.40
Rot. Bonds4

About 1-(3-methoxyphenyl)-2-(3-methylcyclopenta-2,4-dien-1-yl)ethanone

1-(3-methoxyphenyl)-2-(3-methylcyclopenta-2,4-dien-1-yl)ethanone (PubChem CID 174473537) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-2-(3-methylcyclopenta-2,4-dien-1-yl)ethanone.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-2-(3-methylcyclopenta-2,4-dien-1-yl)ethanone
PubChem CID174473537
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name1-(3-methoxyphenyl)-2-(3-methylcyclopenta-2,4-dien-1-yl)ethanone
SMILESCOc1cccc(C(=O)CC2C=CC(C)=C2)c1
InChIInChI=1S/C15H16O2/c1-11-6-7-12(8-11)9-15(16)13-4-3-5-14(10-13)17-2/h3-8,10,12H,9H2,1-2H3
InChIKeyCUXSLYSTYCXBKW-UHFFFAOYSA-N
XLogP3.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-1-(3-methoxyphenyl)ethanone
CID 23505111
1-(3-methoxyphenyl)propan-1-one;propane
CID 142960525
2-(ethylamino)-1-(3-methoxyphenyl)ethanone
CID 82101988
N-[2-(3-methoxyphenyl)-2-oxoethyl]formamide
CID 87584613
1-(3-methoxyphenyl)tetradecan-1-one
CID 146007363
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(3-methoxyphenyl)ethanone
CID 93026009
2-ethylsulfonyl-1-(3-methoxyphenyl)ethanone
CID 64643903
1-(3-methoxyphenyl)-2-pyridin-1-ium-1-ylethanone chloride
CID 19432277
4-fluoro-1-(3-methoxyphenyl)butan-1-one
CID 135043866
3-hydroxy-3-iodo-1-(3-methoxyphenyl)propan-1-one
CID 134358093
3-amino-1-(3-methoxyphenyl)-3-methylbutan-1-one
CID 116581079
4-methoxy-1-(3-methoxyphenyl)butan-1-one
CID 62620743

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-2-(3-methylcyclopenta-2,4-dien-1-yl)ethanone?
The IUPAC name of 1-(3-methoxyphenyl)-2-(3-methylcyclopenta-2,4-dien-1-yl)ethanone (CID 174473537) is 1-(3-methoxyphenyl)-2-(3-methylcyclopenta-2,4-dien-1-yl)ethanone.
What is the SMILES notation for 1-(3-methoxyphenyl)-2-(3-methylcyclopenta-2,4-dien-1-yl)ethanone?
The canonical SMILES for 1-(3-methoxyphenyl)-2-(3-methylcyclopenta-2,4-dien-1-yl)ethanone is COc1cccc(C(=O)CC2C=CC(C)=C2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-2-(3-methylcyclopenta-2,4-dien-1-yl)ethanone?
The InChIKey is CUXSLYSTYCXBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2/c1-11-6-7-12(8-11)9-15(16)13-4-3-5-14(10-13)17-2/h3-8,10,12H,9H2,1-2H3.
What are the key properties of 1-(3-methoxyphenyl)-2-(3-methylcyclopenta-2,4-dien-1-yl)ethanone?
1-(3-methoxyphenyl)-2-(3-methylcyclopenta-2,4-dien-1-yl)ethanone has a molecular weight of 228.29 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-2-(3-methylcyclopenta-2,4-dien-1-yl)ethanone is sourced from PubChem (CID 174473537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).