2-chloro-1-(2-prop-2-enoxyphenyl)ethanone

C11H11ClO2 — CID 12579607

IUPAC2-chloro-1-(2-prop-2-enoxyphenyl)ethanone
SMILESC=CCOc1ccccc1C(=O)CCl
InChIInChI=1S/C11H11ClO2/c1-2-7-14-11-6-4-3-5-9(11)10(13)8-12/h2-6H,1,7-8H2
InChIKeyKSCOEVAEAGUYHD-UHFFFAOYSA-N
MW210.66 g/mol
LogP2.67
Rot. Bonds5

About 2-chloro-1-(2-prop-2-enoxyphenyl)ethanone

2-chloro-1-(2-prop-2-enoxyphenyl)ethanone (PubChem CID 12579607) has the molecular formula C11H11ClO2 and a molecular weight of 210.66 g/mol. Its IUPAC name is 2-chloro-1-(2-prop-2-enoxyphenyl)ethanone.

Molecular Properties

Compound Name2-chloro-1-(2-prop-2-enoxyphenyl)ethanone
PubChem CID12579607
Molecular FormulaC11H11ClO2
Molecular Weight210.66 g/mol
Exact Mass210.04
IUPAC Name2-chloro-1-(2-prop-2-enoxyphenyl)ethanone
SMILESC=CCOc1ccccc1C(=O)CCl
InChIInChI=1S/C11H11ClO2/c1-2-7-14-11-6-4-3-5-9(11)10(13)8-12/h2-6H,1,7-8H2
InChIKeyKSCOEVAEAGUYHD-UHFFFAOYSA-N
XLogP2.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-1-(2-prop-2-enoxyphenyl)ethanone
CID 19910773
bis(2-prop-2-enoxyphenyl)methanone
CID 54013636
2-prop-2-enoxybenzenecarboperoxoic acid
CID 88627610
2-prop-2-enoxybenzoic acid;hydrochloride
CID 70025071
CID 70191473
CID 70191473
1-(4-hydroxyphenyl)-5-(2-prop-2-enoxyphenyl)pentane-1,3,5-trione
CID 10806921
N-methoxy-N-methyl-2-prop-2-enoxybenzamide
CID 60735297
N'-(2-iodobenzoyl)-2-prop-2-enoxybenzohydrazide
CID 4929047
methyl 2-(2-prop-2-enoxybenzoyl)prop-2-enoate
CID 10083253
3,5-dichloro-N'-(2-prop-2-enoxybenzoyl)benzohydrazide
CID 17133664
phenyl-(2-prop-2-enoxyphenyl)methanethione
CID 14227059
1-[(E)-1-methoxyprop-1-enyl]-2-prop-2-enoxybenzene
CID 67861260

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(2-prop-2-enoxyphenyl)ethanone?
The IUPAC name of 2-chloro-1-(2-prop-2-enoxyphenyl)ethanone (CID 12579607) is 2-chloro-1-(2-prop-2-enoxyphenyl)ethanone.
What is the SMILES notation for 2-chloro-1-(2-prop-2-enoxyphenyl)ethanone?
The canonical SMILES for 2-chloro-1-(2-prop-2-enoxyphenyl)ethanone is C=CCOc1ccccc1C(=O)CCl.
What is the InChIKey of 2-chloro-1-(2-prop-2-enoxyphenyl)ethanone?
The InChIKey is KSCOEVAEAGUYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClO2/c1-2-7-14-11-6-4-3-5-9(11)10(13)8-12/h2-6H,1,7-8H2.
What are the key properties of 2-chloro-1-(2-prop-2-enoxyphenyl)ethanone?
2-chloro-1-(2-prop-2-enoxyphenyl)ethanone has a molecular weight of 210.66 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(2-prop-2-enoxyphenyl)ethanone is sourced from PubChem (CID 12579607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).