1-cyclopentyl-2-[2-[(E)-prop-1-enyl]phenoxy]ethanone

C16H20O2 — CID 113449018

IUPAC1-cyclopentyl-2-[2-[(E)-prop-1-enyl]phenoxy]ethanone
SMILESC/C=C/c1ccccc1OCC(=O)C1CCCC1
InChIInChI=1S/C16H20O2/c1-2-7-14-10-5-6-11-16(14)18-12-15(17)13-8-3-4-9-13/h2,5-7,10-11,13H,3-4,8-9,12H2,1H3/b7-2+
InChIKeyHGXWWMFZAXPKHY-FARCUNLSSA-N
MW244.33 g/mol
LogP3.86
Rot. Bonds5

About 1-cyclopentyl-2-[2-[(E)-prop-1-enyl]phenoxy]ethanone

1-cyclopentyl-2-[2-[(E)-prop-1-enyl]phenoxy]ethanone (PubChem CID 113449018) has the molecular formula C16H20O2 and a molecular weight of 244.33 g/mol. Its IUPAC name is 1-cyclopentyl-2-[2-[(E)-prop-1-enyl]phenoxy]ethanone.

Molecular Properties

Compound Name1-cyclopentyl-2-[2-[(E)-prop-1-enyl]phenoxy]ethanone
PubChem CID113449018
Molecular FormulaC16H20O2
Molecular Weight244.33 g/mol
Exact Mass244.15
IUPAC Name1-cyclopentyl-2-[2-[(E)-prop-1-enyl]phenoxy]ethanone
SMILESC/C=C/c1ccccc1OCC(=O)C1CCCC1
InChIInChI=1S/C16H20O2/c1-2-7-14-10-5-6-11-16(14)18-12-15(17)13-8-3-4-9-13/h2,5-7,10-11,13H,3-4,8-9,12H2,1H3/b7-2+
InChIKeyHGXWWMFZAXPKHY-FARCUNLSSA-N
XLogP3.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentyl-2-(2-propan-2-ylphenoxy)ethanone
CID 104751801
2-(2-bromophenoxy)-1-cyclohexylethanone
CID 115578561
2-(2-cyclohexyl-2-oxoethoxy)benzonitrile
CID 113223270
1-cyclohexyl-2-(2-methylsulfanylphenoxy)ethanone
CID 104752083
1-cyclopropyl-2-(2-methoxyphenoxy)ethanone
CID 63914033
1-cyclohexyl-2-(2-fluoro-3-methylphenoxy)ethanone
CID 103988434
1-(4-chlorophenyl)-2-[2-[(E)-prop-1-enyl]phenoxy]ethanone
CID 63566014
1-(4-bromophenyl)-2-(2-prop-1-enylphenoxy)ethanone
CID 76999454
1-cyclohexyl-2-(2,3-dichlorophenoxy)ethanone
CID 115578570
2-(2-cyclopropyl-2-oxoethoxy)benzamide
CID 63913562
1-cyclopropyl-2-(2-fluorophenoxy)ethanone
CID 63913814
1-(3,4-dichlorophenyl)-2-(2-prop-1-enylphenoxy)ethanone
CID 76999455

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-[2-[(E)-prop-1-enyl]phenoxy]ethanone?
The IUPAC name of 1-cyclopentyl-2-[2-[(E)-prop-1-enyl]phenoxy]ethanone (CID 113449018) is 1-cyclopentyl-2-[2-[(E)-prop-1-enyl]phenoxy]ethanone.
What is the SMILES notation for 1-cyclopentyl-2-[2-[(E)-prop-1-enyl]phenoxy]ethanone?
The canonical SMILES for 1-cyclopentyl-2-[2-[(E)-prop-1-enyl]phenoxy]ethanone is C/C=C/c1ccccc1OCC(=O)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-[2-[(E)-prop-1-enyl]phenoxy]ethanone?
The InChIKey is HGXWWMFZAXPKHY-FARCUNLSSA-N. The full InChI is InChI=1S/C16H20O2/c1-2-7-14-10-5-6-11-16(14)18-12-15(17)13-8-3-4-9-13/h2,5-7,10-11,13H,3-4,8-9,12H2,1H3/b7-2+.
What are the key properties of 1-cyclopentyl-2-[2-[(E)-prop-1-enyl]phenoxy]ethanone?
1-cyclopentyl-2-[2-[(E)-prop-1-enyl]phenoxy]ethanone has a molecular weight of 244.33 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-[2-[(E)-prop-1-enyl]phenoxy]ethanone is sourced from PubChem (CID 113449018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).