2-(4-chlorophenyl)prop-2-enyl ethyl carbonate

C12H13ClO3 — CID 102130678

IUPAC2-(4-chlorophenyl)prop-2-enyl ethyl carbonate
SMILESC=C(COC(=O)OCC)c1ccc(Cl)cc1
InChIInChI=1S/C12H13ClO3/c1-3-15-12(14)16-8-9(2)10-4-6-11(13)7-5-10/h4-7H,2-3,8H2,1H3
InChIKeyGZZNACZHOWYYJG-UHFFFAOYSA-N
MW240.69 g/mol
LogP3.53
Rot. Bonds4

About 2-(4-chlorophenyl)prop-2-enyl ethyl carbonate

2-(4-chlorophenyl)prop-2-enyl ethyl carbonate (PubChem CID 102130678) has the molecular formula C12H13ClO3 and a molecular weight of 240.69 g/mol. Its IUPAC name is 2-(4-chlorophenyl)prop-2-enyl ethyl carbonate.

Molecular Properties

Compound Name2-(4-chlorophenyl)prop-2-enyl ethyl carbonate
PubChem CID102130678
Molecular FormulaC12H13ClO3
Molecular Weight240.69 g/mol
Exact Mass240.06
IUPAC Name2-(4-chlorophenyl)prop-2-enyl ethyl carbonate
SMILESC=C(COC(=O)OCC)c1ccc(Cl)cc1
InChIInChI=1S/C12H13ClO3/c1-3-15-12(14)16-8-9(2)10-4-6-11(13)7-5-10/h4-7H,2-3,8H2,1H3
InChIKeyGZZNACZHOWYYJG-UHFFFAOYSA-N
XLogP3.53
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylprop-2-enyl 4-chlorobenzoate
CID 78789028
[4-(4-chlorophenoxy)phenyl] ethyl carbonate
CID 146594129
ethyl 4-[(4-chlorophenyl)methyl]benzoate
CID 11414671
ethyl 3-[(4-chlorobenzoyl)amino]-2-propan-2-ylbut-3-enoate
CID 23267372
ethyl 2-amino-2-(4-chlorobenzenecarbothioyl)iminoacetate
CID 143009591
ethyl 2-(4-chlorobenzoyl)-3-oxobutanoate
CID 15047579
ethyl N-[2,2-dichloro-1-(4-chlorophenyl)ethenyl]carbamate
CID 621078
chlorobenzene;diethyl 2-methylidenepropanedioate
CID 174760739
(2-chloro-2-oxoethyl) ethyl carbonate
CID 90058161
ethyl (Z)-3-acetamido-3-(4-chlorophenyl)prop-2-enoate
CID 11334658
ethyl 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylacetate
CID 14923350
[(Z)-1-(4-chlorophenyl)prop-1-en-2-yl] ethyl carbonate
CID 54604290

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)prop-2-enyl ethyl carbonate?
The IUPAC name of 2-(4-chlorophenyl)prop-2-enyl ethyl carbonate (CID 102130678) is 2-(4-chlorophenyl)prop-2-enyl ethyl carbonate.
What is the SMILES notation for 2-(4-chlorophenyl)prop-2-enyl ethyl carbonate?
The canonical SMILES for 2-(4-chlorophenyl)prop-2-enyl ethyl carbonate is C=C(COC(=O)OCC)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)prop-2-enyl ethyl carbonate?
The InChIKey is GZZNACZHOWYYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClO3/c1-3-15-12(14)16-8-9(2)10-4-6-11(13)7-5-10/h4-7H,2-3,8H2,1H3.
What are the key properties of 2-(4-chlorophenyl)prop-2-enyl ethyl carbonate?
2-(4-chlorophenyl)prop-2-enyl ethyl carbonate has a molecular weight of 240.69 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)prop-2-enyl ethyl carbonate is sourced from PubChem (CID 102130678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).