1-(4-chlorophenyl)-2-[2-[(E)-prop-1-enyl]phenoxy]ethanone

C17H15ClO2 — CID 63566014

IUPAC1-(4-chlorophenyl)-2-[2-[(E)-prop-1-enyl]phenoxy]ethanone
SMILESC/C=C/c1ccccc1OCC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H15ClO2/c1-2-5-14-6-3-4-7-17(14)20-12-16(19)13-8-10-15(18)11-9-13/h2-11H,12H2,1H3/b5-2+
InChIKeyXOLTWXLVYFHUPG-GORDUTHDSA-N
MW286.76 g/mol
LogP4.63
Rot. Bonds5

About 1-(4-chlorophenyl)-2-[2-[(E)-prop-1-enyl]phenoxy]ethanone

1-(4-chlorophenyl)-2-[2-[(E)-prop-1-enyl]phenoxy]ethanone (PubChem CID 63566014) has the molecular formula C17H15ClO2 and a molecular weight of 286.76 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-[2-[(E)-prop-1-enyl]phenoxy]ethanone.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-[2-[(E)-prop-1-enyl]phenoxy]ethanone
PubChem CID63566014
Molecular FormulaC17H15ClO2
Molecular Weight286.76 g/mol
Exact Mass286.08
IUPAC Name1-(4-chlorophenyl)-2-[2-[(E)-prop-1-enyl]phenoxy]ethanone
SMILESC/C=C/c1ccccc1OCC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H15ClO2/c1-2-5-14-6-3-4-7-17(14)20-12-16(19)13-8-10-15(18)11-9-13/h2-11H,12H2,1H3/b5-2+
InChIKeyXOLTWXLVYFHUPG-GORDUTHDSA-N
XLogP4.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)-2-(2-prop-1-enylphenoxy)ethanone
CID 76999454
1-(3,4-dichlorophenyl)-2-(2-prop-1-enylphenoxy)ethanone
CID 76999455
1-(4-chlorophenyl)-2-(2-ethylphenoxy)ethanone
CID 43412426
4-chloro-N-[2-(2-prop-1-enylphenoxy)ethyl]aniline
CID 76997623
1-cyclopentyl-2-[2-[(E)-prop-1-enyl]phenoxy]ethanone
CID 113449018
1-(4-chlorobutoxy)-2-prop-1-enylbenzene
CID 76919134
[2-(4-chlorophenyl)-2-oxoethyl] 3-(2-methoxyphenyl)-2-phenylprop-2-enoate
CID 3374107
4-(2-prop-1-enylphenoxy)but-2-enoic acid
CID 76940552
2-chloro-6-[2-(4-chlorophenyl)-2-oxoethoxy]benzonitrile
CID 114323687
2,2-dimethyl-3-(2-prop-1-enylphenoxy)propanehydrazide
CID 79626134
[2-(4-chlorophenyl)-2-oxoethyl] (E)-3-(2,3-dimethoxyphenyl)prop-2-enoate
CID 2364886
1-[2-[(4-chlorophenyl)iminomethyl]phenoxy]propan-2-one
CID 71070201

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-[2-[(E)-prop-1-enyl]phenoxy]ethanone?
The IUPAC name of 1-(4-chlorophenyl)-2-[2-[(E)-prop-1-enyl]phenoxy]ethanone (CID 63566014) is 1-(4-chlorophenyl)-2-[2-[(E)-prop-1-enyl]phenoxy]ethanone.
What is the SMILES notation for 1-(4-chlorophenyl)-2-[2-[(E)-prop-1-enyl]phenoxy]ethanone?
The canonical SMILES for 1-(4-chlorophenyl)-2-[2-[(E)-prop-1-enyl]phenoxy]ethanone is C/C=C/c1ccccc1OCC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-[2-[(E)-prop-1-enyl]phenoxy]ethanone?
The InChIKey is XOLTWXLVYFHUPG-GORDUTHDSA-N. The full InChI is InChI=1S/C17H15ClO2/c1-2-5-14-6-3-4-7-17(14)20-12-16(19)13-8-10-15(18)11-9-13/h2-11H,12H2,1H3/b5-2+.
What are the key properties of 1-(4-chlorophenyl)-2-[2-[(E)-prop-1-enyl]phenoxy]ethanone?
1-(4-chlorophenyl)-2-[2-[(E)-prop-1-enyl]phenoxy]ethanone has a molecular weight of 286.76 g/mol, XLogP of 4.63, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-[2-[(E)-prop-1-enyl]phenoxy]ethanone is sourced from PubChem (CID 63566014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).