ethyl 5-(4-chlorophenyl)-3-naphthalen-1-ylpent-2-enoate

C23H21ClO2 — CID 90754116

IUPACethyl 5-(4-chlorophenyl)-3-naphthalen-1-ylpent-2-enoate
SMILESCCOC(=O)C=C(CCc1ccc(Cl)cc1)c1cccc2ccccc12
InChIInChI=1S/C23H21ClO2/c1-2-26-23(25)16-19(13-10-17-11-14-20(24)15-12-17)22-9-5-7-18-6-3-4-8-21(18)22/h3-9,11-12,14-16H,2,10,13H2,1H3
InChIKeyLGUSMIGUIJCADT-UHFFFAOYSA-N
MW364.87 g/mol
LogP6.07
Rot. Bonds6

About ethyl 5-(4-chlorophenyl)-3-naphthalen-1-ylpent-2-enoate

ethyl 5-(4-chlorophenyl)-3-naphthalen-1-ylpent-2-enoate (PubChem CID 90754116) has the molecular formula C23H21ClO2 and a molecular weight of 364.87 g/mol. Its IUPAC name is ethyl 5-(4-chlorophenyl)-3-naphthalen-1-ylpent-2-enoate.

Molecular Properties

Compound Nameethyl 5-(4-chlorophenyl)-3-naphthalen-1-ylpent-2-enoate
PubChem CID90754116
Molecular FormulaC23H21ClO2
Molecular Weight364.87 g/mol
Exact Mass364.12
IUPAC Nameethyl 5-(4-chlorophenyl)-3-naphthalen-1-ylpent-2-enoate
SMILESCCOC(=O)C=C(CCc1ccc(Cl)cc1)c1cccc2ccccc12
InChIInChI=1S/C23H21ClO2/c1-2-26-23(25)16-19(13-10-17-11-14-20(24)15-12-17)22-9-5-7-18-6-3-4-8-21(18)22/h3-9,11-12,14-16H,2,10,13H2,1H3
InChIKeyLGUSMIGUIJCADT-UHFFFAOYSA-N
XLogP6.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.87
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl (E)-5-(4-chlorophenyl)-3-(4-methoxyphenyl)pent-2-enoate
CID 131732159
ethyl (2S)-3-(4-chlorophenyl)-2-(naphthalene-1-carbonylamino)propanoate
CID 22093441
2-(4-chlorophenyl)ethyl N-(naphthalene-1-carbonylamino)carbamate
CID 6733479
ethyl (Z)-5-(6-hydroxynaphthalen-2-yl)-3-naphthalen-2-ylpent-2-enoate
CID 67357334
ethyl 3-naphthalen-1-yloxybut-2-enoate
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ethyl 4-(4-chlorophenyl)butanoate
CID 14921100
ethyl 7-(4-chlorophenyl)-2-naphthalen-1-ylsulfonylheptanoate
CID 23047898
ethyl (Z)-3-isoquinolin-8-ylbut-2-enoate
CID 69141603
1-naphthalen-1-yl-3-phenylpropan-1-one
CID 20764678
1-(2-chlorophenyl)-3-(4-chlorophenyl)propan-1-one
CID 24726092
ethyl (2S)-4-(4-chlorophenyl)-2-hydroxybutanoate
CID 101370684
ethyl 3-chloro-3-(2-methylphenyl)prop-2-enoate
CID 86586403

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(4-chlorophenyl)-3-naphthalen-1-ylpent-2-enoate?
The IUPAC name of ethyl 5-(4-chlorophenyl)-3-naphthalen-1-ylpent-2-enoate (CID 90754116) is ethyl 5-(4-chlorophenyl)-3-naphthalen-1-ylpent-2-enoate.
What is the SMILES notation for ethyl 5-(4-chlorophenyl)-3-naphthalen-1-ylpent-2-enoate?
The canonical SMILES for ethyl 5-(4-chlorophenyl)-3-naphthalen-1-ylpent-2-enoate is CCOC(=O)C=C(CCc1ccc(Cl)cc1)c1cccc2ccccc12.
What is the InChIKey of ethyl 5-(4-chlorophenyl)-3-naphthalen-1-ylpent-2-enoate?
The InChIKey is LGUSMIGUIJCADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClO2/c1-2-26-23(25)16-19(13-10-17-11-14-20(24)15-12-17)22-9-5-7-18-6-3-4-8-21(18)22/h3-9,11-12,14-16H,2,10,13H2,1H3.
What are the key properties of ethyl 5-(4-chlorophenyl)-3-naphthalen-1-ylpent-2-enoate?
ethyl 5-(4-chlorophenyl)-3-naphthalen-1-ylpent-2-enoate has a molecular weight of 364.87 g/mol, XLogP of 6.07, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(4-chlorophenyl)-3-naphthalen-1-ylpent-2-enoate is sourced from PubChem (CID 90754116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).