ethyl 4,5-bis(4-chlorophenyl)-4-hydroxy-5-oxopentanoate

C19H18Cl2O4 — CID 10667517

IUPACethyl 4,5-bis(4-chlorophenyl)-4-hydroxy-5-oxopentanoate
SMILESCCOC(=O)CCC(O)(C(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H18Cl2O4/c1-2-25-17(22)11-12-19(24,14-5-9-16(21)10-6-14)18(23)13-3-7-15(20)8-4-13/h3-10,24H,2,11-12H2,1H3
InChIKeyMESZHILNXADBCR-UHFFFAOYSA-N
MW381.26 g/mol
LogP4.41
Rot. Bonds7

About ethyl 4,5-bis(4-chlorophenyl)-4-hydroxy-5-oxopentanoate

ethyl 4,5-bis(4-chlorophenyl)-4-hydroxy-5-oxopentanoate (PubChem CID 10667517) has the molecular formula C19H18Cl2O4 and a molecular weight of 381.26 g/mol. Its IUPAC name is ethyl 4,5-bis(4-chlorophenyl)-4-hydroxy-5-oxopentanoate.

Molecular Properties

Compound Nameethyl 4,5-bis(4-chlorophenyl)-4-hydroxy-5-oxopentanoate
PubChem CID10667517
Molecular FormulaC19H18Cl2O4
Molecular Weight381.26 g/mol
Exact Mass380.06
IUPAC Nameethyl 4,5-bis(4-chlorophenyl)-4-hydroxy-5-oxopentanoate
SMILESCCOC(=O)CCC(O)(C(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H18Cl2O4/c1-2-25-17(22)11-12-19(24,14-5-9-16(21)10-6-14)18(23)13-3-7-15(20)8-4-13/h3-10,24H,2,11-12H2,1H3
InChIKeyMESZHILNXADBCR-UHFFFAOYSA-N
XLogP4.41
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.26
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,2-bis(4-chlorophenyl)-2-hydroxyhexane-1,5-dione
CID 10594061
1-(4-chlorophenyl)-2,3-dihydroxy-2-(4-methylphenyl)propan-1-one
CID 54314216
ethyl 3-amino-2-(4-chlorophenyl)-2-hydroxypropanoate
CID 85373846
ethyl 4-bromo-5-(4-chlorophenyl)-5-oxopentanoate
CID 18671703
ethyl 4-(3,4-dichlorophenyl)-4-hydroxypentanoate
CID 66321487
ethyl 2,2-bis(4-chlorophenyl)-2-hydroxyacetate
CID 160629016
ethyl 4-(4-chlorophenyl)butanoate
CID 14921100
ethyl 4-(4-ethylphenyl)-4-hydroxyhexanoate
CID 66323180
triethyl 4-(4-chlorophenyl)-2-hydroxy-4-oxobutane-1,2,3-tricarboxylate
CID 141498975
ethyl 4-(3-bromo-4-fluorophenyl)-4-hydroxypentanoate
CID 66321896
ethyl (4E)-4-[(S)-tert-butylsulfinyl]imino-4-(4-chlorophenyl)butanoate
CID 71662115
5-O-(4-chlorophenyl) 1-O-ethyl pentanedioate
CID 91718068

Frequently Asked Questions

What is the IUPAC name of ethyl 4,5-bis(4-chlorophenyl)-4-hydroxy-5-oxopentanoate?
The IUPAC name of ethyl 4,5-bis(4-chlorophenyl)-4-hydroxy-5-oxopentanoate (CID 10667517) is ethyl 4,5-bis(4-chlorophenyl)-4-hydroxy-5-oxopentanoate.
What is the SMILES notation for ethyl 4,5-bis(4-chlorophenyl)-4-hydroxy-5-oxopentanoate?
The canonical SMILES for ethyl 4,5-bis(4-chlorophenyl)-4-hydroxy-5-oxopentanoate is CCOC(=O)CCC(O)(C(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of ethyl 4,5-bis(4-chlorophenyl)-4-hydroxy-5-oxopentanoate?
The InChIKey is MESZHILNXADBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2O4/c1-2-25-17(22)11-12-19(24,14-5-9-16(21)10-6-14)18(23)13-3-7-15(20)8-4-13/h3-10,24H,2,11-12H2,1H3.
What are the key properties of ethyl 4,5-bis(4-chlorophenyl)-4-hydroxy-5-oxopentanoate?
ethyl 4,5-bis(4-chlorophenyl)-4-hydroxy-5-oxopentanoate has a molecular weight of 381.26 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4,5-bis(4-chlorophenyl)-4-hydroxy-5-oxopentanoate is sourced from PubChem (CID 10667517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).