1-(3-chlorophenyl)-2-prop-2-enoxyethanone

C11H11ClO2 — CID 62030238

IUPAC1-(3-chlorophenyl)-2-prop-2-enoxyethanone
SMILESC=CCOCC(=O)c1cccc(Cl)c1
InChIInChI=1S/C11H11ClO2/c1-2-6-14-8-11(13)9-4-3-5-10(12)7-9/h2-5,7H,1,6,8H2
InChIKeyNUVXFWQSUWGZIT-UHFFFAOYSA-N
MW210.66 g/mol
LogP2.73
Rot. Bonds5

About 1-(3-chlorophenyl)-2-prop-2-enoxyethanone

1-(3-chlorophenyl)-2-prop-2-enoxyethanone (PubChem CID 62030238) has the molecular formula C11H11ClO2 and a molecular weight of 210.66 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-prop-2-enoxyethanone.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-prop-2-enoxyethanone
PubChem CID62030238
Molecular FormulaC11H11ClO2
Molecular Weight210.66 g/mol
Exact Mass210.04
IUPAC Name1-(3-chlorophenyl)-2-prop-2-enoxyethanone
SMILESC=CCOCC(=O)c1cccc(Cl)c1
InChIInChI=1S/C11H11ClO2/c1-2-6-14-8-11(13)9-4-3-5-10(12)7-9/h2-5,7H,1,6,8H2
InChIKeyNUVXFWQSUWGZIT-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chlorophenyl)-2-[(4-chlorophenyl)methoxy]ethanone
CID 65126242
1-(3-chlorophenyl)-2-propan-2-yloxyethanone
CID 43798807
1-(3-chlorophenyl)-2-(2-pyridin-2-ylethoxy)ethanone
CID 62030040
2-(3-chlorophenyl)-2-oxoethanesulfonic acid
CID 115040558
1-(3-chlorophenyl)-2-(oxolan-3-ylmethoxy)ethanone
CID 54976813
3-chloro-N'-(4-prop-2-enoxybenzoyl)benzohydrazide
CID 4926011
prop-2-enyl N-[2-[(3-chlorobenzoyl)amino]ethyl]carbamate
CID 108571431
[2-(3-chlorophenyl)-2-oxoethyl] propyl carbonate
CID 141034666
2-(chloroamino)-1-(3-chlorophenyl)ethanone
CID 126496293
1-(3-chlorophenyl)butane-1,3-dione
CID 15256966
2-(3-chloro-2-fluorophenoxy)-1-(3-chlorophenyl)ethanone
CID 116689480
4-chloro-2-[2-(3-chlorophenyl)-2-oxoethoxy]benzonitrile
CID 114323790

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-prop-2-enoxyethanone?
The IUPAC name of 1-(3-chlorophenyl)-2-prop-2-enoxyethanone (CID 62030238) is 1-(3-chlorophenyl)-2-prop-2-enoxyethanone.
What is the SMILES notation for 1-(3-chlorophenyl)-2-prop-2-enoxyethanone?
The canonical SMILES for 1-(3-chlorophenyl)-2-prop-2-enoxyethanone is C=CCOCC(=O)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-2-prop-2-enoxyethanone?
The InChIKey is NUVXFWQSUWGZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClO2/c1-2-6-14-8-11(13)9-4-3-5-10(12)7-9/h2-5,7H,1,6,8H2.
What are the key properties of 1-(3-chlorophenyl)-2-prop-2-enoxyethanone?
1-(3-chlorophenyl)-2-prop-2-enoxyethanone has a molecular weight of 210.66 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-prop-2-enoxyethanone is sourced from PubChem (CID 62030238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).