1-(3,4-dichlorophenyl)-2-(2-prop-1-enylphenoxy)ethanone

C17H14Cl2O2 — CID 76999455

IUPAC1-(3,4-dichlorophenyl)-2-(2-prop-1-enylphenoxy)ethanone
SMILESCC=Cc1ccccc1OCC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H14Cl2O2/c1-2-5-12-6-3-4-7-17(12)21-11-16(20)13-8-9-14(18)15(19)10-13/h2-10H,11H2,1H3
InChIKeyHBEHJIQZYNYKJM-UHFFFAOYSA-N
MW321.20 g/mol
LogP5.29
Rot. Bonds5

About 1-(3,4-dichlorophenyl)-2-(2-prop-1-enylphenoxy)ethanone

1-(3,4-dichlorophenyl)-2-(2-prop-1-enylphenoxy)ethanone (PubChem CID 76999455) has the molecular formula C17H14Cl2O2 and a molecular weight of 321.20 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-2-(2-prop-1-enylphenoxy)ethanone.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-2-(2-prop-1-enylphenoxy)ethanone
PubChem CID76999455
Molecular FormulaC17H14Cl2O2
Molecular Weight321.20 g/mol
Exact Mass320.04
IUPAC Name1-(3,4-dichlorophenyl)-2-(2-prop-1-enylphenoxy)ethanone
SMILESCC=Cc1ccccc1OCC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H14Cl2O2/c1-2-5-12-6-3-4-7-17(12)21-11-16(20)13-8-9-14(18)15(19)10-13/h2-10H,11H2,1H3
InChIKeyHBEHJIQZYNYKJM-UHFFFAOYSA-N
XLogP5.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.20
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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-(3,4-dichlorophenyl)-2-(3,5-dimethylphenoxy)ethanone
CID 43412378
1-cyclopentyl-2-[2-[(E)-prop-1-enyl]phenoxy]ethanone
CID 113449018
1-(3-chloro-4-methoxyphenyl)-2-naphthalen-1-yloxyethanone
CID 7627379
1-(4-chlorobutoxy)-2-prop-1-enylbenzene
CID 76919134
1-(3-bromophenyl)-2-(2-chlorophenoxy)ethanone
CID 60625595
1-(3,4-dichlorophenyl)-2-(2,3,6-trimethylphenoxy)ethanone
CID 43801034
1-(3,4-dichlorophenyl)-2-phenylmethoxyethanone
CID 55031191
[2-(3,4-dichlorophenyl)-2-oxoethyl] 2-aminobenzoate
CID 15702453
4-(2-prop-1-enylphenoxy)but-2-enoic acid
CID 76940552
3,4-dichloro-N'-[2-(2-ethoxyphenoxy)acetyl]benzohydrazide
CID 2091621

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-2-(2-prop-1-enylphenoxy)ethanone?
The IUPAC name of 1-(3,4-dichlorophenyl)-2-(2-prop-1-enylphenoxy)ethanone (CID 76999455) is 1-(3,4-dichlorophenyl)-2-(2-prop-1-enylphenoxy)ethanone.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-2-(2-prop-1-enylphenoxy)ethanone?
The canonical SMILES for 1-(3,4-dichlorophenyl)-2-(2-prop-1-enylphenoxy)ethanone is CC=Cc1ccccc1OCC(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-2-(2-prop-1-enylphenoxy)ethanone?
The InChIKey is HBEHJIQZYNYKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2O2/c1-2-5-12-6-3-4-7-17(12)21-11-16(20)13-8-9-14(18)15(19)10-13/h2-10H,11H2,1H3.
What are the key properties of 1-(3,4-dichlorophenyl)-2-(2-prop-1-enylphenoxy)ethanone?
1-(3,4-dichlorophenyl)-2-(2-prop-1-enylphenoxy)ethanone has a molecular weight of 321.20 g/mol, XLogP of 5.29, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-2-(2-prop-1-enylphenoxy)ethanone is sourced from PubChem (CID 76999455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).