[(E)-3-chloroprop-2-enyl] 2-phenylacetate

C11H11ClO2 — CID 5353051

IUPAC[(E)-3-chloroprop-2-enyl] 2-phenylacetate
SMILESO=C(Cc1ccccc1)OC/C=C/Cl
InChIInChI=1S/C11H11ClO2/c12-7-4-8-14-11(13)9-10-5-2-1-3-6-10/h1-7H,8-9H2/b7-4+
InChIKeyPBULRLQIJUOCDV-QPJJXVBHSA-N
MW210.66 g/mol
LogP2.52
Rot. Bonds4

About [(E)-3-chloroprop-2-enyl] 2-phenylacetate

[(E)-3-chloroprop-2-enyl] 2-phenylacetate (PubChem CID 5353051) has the molecular formula C11H11ClO2 and a molecular weight of 210.66 g/mol. Its IUPAC name is [(E)-3-chloroprop-2-enyl] 2-phenylacetate.

Molecular Properties

Compound Name[(E)-3-chloroprop-2-enyl] 2-phenylacetate
PubChem CID5353051
Molecular FormulaC11H11ClO2
Molecular Weight210.66 g/mol
Exact Mass210.04
IUPAC Name[(E)-3-chloroprop-2-enyl] 2-phenylacetate
SMILESO=C(Cc1ccccc1)OC/C=C/Cl
InChIInChI=1S/C11H11ClO2/c12-7-4-8-14-11(13)9-10-5-2-1-3-6-10/h1-7H,8-9H2/b7-4+
InChIKeyPBULRLQIJUOCDV-QPJJXVBHSA-N
XLogP2.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-phenylacetyl)oxybut-2-enyl 2-phenylacetate
CID 139775168
octa-2,4-dienyl 2-phenylacetate
CID 175317654
ethyl 2-phenylacetate
CID 7590
2,2-dichloroethyl 2-phenylacetate
CID 102088308
[(Z)-4-phenylmethoxybut-2-enyl] 2-(4-methoxyphenyl)acetate
CID 101184767
ethyl 2-phenylacetate;hydrate
CID 141257001
acetyloxymethyl 2-phenylacetate
CID 121486345
[(Z)-hex-3-enyl] 2-phenylacetate
CID 5367698
(2-phenylacetyl)oxy 2-phenylethaneperoxoate
CID 87450697
[(Z)-3-chloroprop-2-enoxy]methylbenzene
CID 131246507
prop-2-enyl 2-(4-hydroxyphenyl)acetate
CID 11275537
2-(4-hydroxyphenyl)ethyl 2-phenylacetate
CID 24850763

Frequently Asked Questions

What is the IUPAC name of [(E)-3-chloroprop-2-enyl] 2-phenylacetate?
The IUPAC name of [(E)-3-chloroprop-2-enyl] 2-phenylacetate (CID 5353051) is [(E)-3-chloroprop-2-enyl] 2-phenylacetate.
What is the SMILES notation for [(E)-3-chloroprop-2-enyl] 2-phenylacetate?
The canonical SMILES for [(E)-3-chloroprop-2-enyl] 2-phenylacetate is O=C(Cc1ccccc1)OC/C=C/Cl.
What is the InChIKey of [(E)-3-chloroprop-2-enyl] 2-phenylacetate?
The InChIKey is PBULRLQIJUOCDV-QPJJXVBHSA-N. The full InChI is InChI=1S/C11H11ClO2/c12-7-4-8-14-11(13)9-10-5-2-1-3-6-10/h1-7H,8-9H2/b7-4+.
What are the key properties of [(E)-3-chloroprop-2-enyl] 2-phenylacetate?
[(E)-3-chloroprop-2-enyl] 2-phenylacetate has a molecular weight of 210.66 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-chloroprop-2-enyl] 2-phenylacetate is sourced from PubChem (CID 5353051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).