ethyl (2R)-4-(4-chlorophenyl)-2-hydroxypent-4-enoate

C13H15ClO3 — CID 11391178

IUPACethyl (2R)-4-(4-chlorophenyl)-2-hydroxypent-4-enoate
SMILESC=C(C[C@@H](O)C(=O)OCC)c1ccc(Cl)cc1
InChIInChI=1S/C13H15ClO3/c1-3-17-13(16)12(15)8-9(2)10-4-6-11(14)7-5-10/h4-7,12,15H,2-3,8H2,1H3/t12-/m1/s1
InChIKeyFJAZGJHQKBLKOH-GFCCVEGCSA-N
MW254.71 g/mol
LogP2.67
Rot. Bonds5

About ethyl (2R)-4-(4-chlorophenyl)-2-hydroxypent-4-enoate

ethyl (2R)-4-(4-chlorophenyl)-2-hydroxypent-4-enoate (PubChem CID 11391178) has the molecular formula C13H15ClO3 and a molecular weight of 254.71 g/mol. Its IUPAC name is ethyl (2R)-4-(4-chlorophenyl)-2-hydroxypent-4-enoate.

Molecular Properties

Compound Nameethyl (2R)-4-(4-chlorophenyl)-2-hydroxypent-4-enoate
PubChem CID11391178
Molecular FormulaC13H15ClO3
Molecular Weight254.71 g/mol
Exact Mass254.07
IUPAC Nameethyl (2R)-4-(4-chlorophenyl)-2-hydroxypent-4-enoate
SMILESC=C(C[C@@H](O)C(=O)OCC)c1ccc(Cl)cc1
InChIInChI=1S/C13H15ClO3/c1-3-17-13(16)12(15)8-9(2)10-4-6-11(14)7-5-10/h4-7,12,15H,2-3,8H2,1H3/t12-/m1/s1
InChIKeyFJAZGJHQKBLKOH-GFCCVEGCSA-N
XLogP2.67
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.71
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-4-(4-chlorophenyl)-2-hydroxypent-4-enoate?
The IUPAC name of ethyl (2R)-4-(4-chlorophenyl)-2-hydroxypent-4-enoate (CID 11391178) is ethyl (2R)-4-(4-chlorophenyl)-2-hydroxypent-4-enoate.
What is the SMILES notation for ethyl (2R)-4-(4-chlorophenyl)-2-hydroxypent-4-enoate?
The canonical SMILES for ethyl (2R)-4-(4-chlorophenyl)-2-hydroxypent-4-enoate is C=C(C[C@@H](O)C(=O)OCC)c1ccc(Cl)cc1.
What is the InChIKey of ethyl (2R)-4-(4-chlorophenyl)-2-hydroxypent-4-enoate?
The InChIKey is FJAZGJHQKBLKOH-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H15ClO3/c1-3-17-13(16)12(15)8-9(2)10-4-6-11(14)7-5-10/h4-7,12,15H,2-3,8H2,1H3/t12-/m1/s1.
What are the key properties of ethyl (2R)-4-(4-chlorophenyl)-2-hydroxypent-4-enoate?
ethyl (2R)-4-(4-chlorophenyl)-2-hydroxypent-4-enoate has a molecular weight of 254.71 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-4-(4-chlorophenyl)-2-hydroxypent-4-enoate is sourced from PubChem (CID 11391178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).