[(E)-3-(2-chlorophenyl)but-2-enyl] methyl carbonate

C12H13ClO3 — CID 10966648

IUPAC[(E)-3-(2-chlorophenyl)but-2-enyl] methyl carbonate
SMILESCOC(=O)OC/C=C(\C)c1ccccc1Cl
InChIInChI=1S/C12H13ClO3/c1-9(7-8-16-12(14)15-2)10-5-3-4-6-11(10)13/h3-7H,8H2,1-2H3/b9-7+
InChIKeyLGEWGAXRILGWGT-VQHVLOKHSA-N
MW240.69 g/mol
LogP3.53
Rot. Bonds3

About [(E)-3-(2-chlorophenyl)but-2-enyl] methyl carbonate

[(E)-3-(2-chlorophenyl)but-2-enyl] methyl carbonate (PubChem CID 10966648) has the molecular formula C12H13ClO3 and a molecular weight of 240.69 g/mol. Its IUPAC name is [(E)-3-(2-chlorophenyl)but-2-enyl] methyl carbonate.

Molecular Properties

Compound Name[(E)-3-(2-chlorophenyl)but-2-enyl] methyl carbonate
PubChem CID10966648
Molecular FormulaC12H13ClO3
Molecular Weight240.69 g/mol
Exact Mass240.06
IUPAC Name[(E)-3-(2-chlorophenyl)but-2-enyl] methyl carbonate
SMILESCOC(=O)OC/C=C(\C)c1ccccc1Cl
InChIInChI=1S/C12H13ClO3/c1-9(7-8-16-12(14)15-2)10-5-3-4-6-11(10)13/h3-7H,8H2,1-2H3/b9-7+
InChIKeyLGEWGAXRILGWGT-VQHVLOKHSA-N
XLogP3.53
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
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

(E)-4-(2-chlorophenyl)pent-3-en-1-amine
CID 82076101
[(E)-3-(3-bromophenyl)but-2-enyl] methyl carbonate
CID 135376040
1-(5-bromopent-2-en-2-yl)-2-chlorobenzene
CID 79018892
2-(2-chlorophenyl)prop-1-en-1-amine
CID 174405971
methyl (2R)-2-(2-chlorobenzoyl)-3-oxobutanoate
CID 98099991
methyl 3-(2-chlorophenyl)-2-fluoro-3-oxopropanoate
CID 105488730
4-(2-chlorophenyl)-N-propylpent-3-en-1-amine
CID 79597836
methyl 2-hydroxy-3-[(Z)-pent-2-en-2-yl]benzoate
CID 143966342
[(2R)-1-(ethylamino)-1-oxopropan-2-yl] 2-chlorobenzoate
CID 9412610
3-(2-chlorophenyl)but-2-enenitrile
CID 76913812
2-(pyrimidin-2-ylamino)ethyl 3-(2-chlorophenyl)but-2-enoate
CID 72688313
1-(2-chlorophenyl)ethanone;hydrochloride
CID 174743581

Frequently Asked Questions

What is the IUPAC name of [(E)-3-(2-chlorophenyl)but-2-enyl] methyl carbonate?
The IUPAC name of [(E)-3-(2-chlorophenyl)but-2-enyl] methyl carbonate (CID 10966648) is [(E)-3-(2-chlorophenyl)but-2-enyl] methyl carbonate.
What is the SMILES notation for [(E)-3-(2-chlorophenyl)but-2-enyl] methyl carbonate?
The canonical SMILES for [(E)-3-(2-chlorophenyl)but-2-enyl] methyl carbonate is COC(=O)OC/C=C(\C)c1ccccc1Cl.
What is the InChIKey of [(E)-3-(2-chlorophenyl)but-2-enyl] methyl carbonate?
The InChIKey is LGEWGAXRILGWGT-VQHVLOKHSA-N. The full InChI is InChI=1S/C12H13ClO3/c1-9(7-8-16-12(14)15-2)10-5-3-4-6-11(10)13/h3-7H,8H2,1-2H3/b9-7+.
What are the key properties of [(E)-3-(2-chlorophenyl)but-2-enyl] methyl carbonate?
[(E)-3-(2-chlorophenyl)but-2-enyl] methyl carbonate has a molecular weight of 240.69 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-(2-chlorophenyl)but-2-enyl] methyl carbonate is sourced from PubChem (CID 10966648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).