methyl 5-chloro-3-[1-(5-chloro-2-methoxy-3-methoxycarbonylphenyl)pent-1-enyl]-2-methoxybenzoate

C23H24Cl2O6 — CID 10073259

IUPACmethyl 5-chloro-3-[1-(5-chloro-2-methoxy-3-methoxycarbonylphenyl)pent-1-enyl]-2-methoxybenzoate
SMILESCCCC=C(c1cc(Cl)cc(C(=O)OC)c1OC)c1cc(Cl)cc(C(=O)OC)c1OC
InChIInChI=1S/C23H24Cl2O6/c1-6-7-8-15(16-9-13(24)11-18(20(16)28-2)22(26)30-4)17-10-14(25)12-19(21(17)29-3)23(27)31-5/h8-12H,6-7H2,1-5H3
InChIKeyFUDMYWVRZKCJBS-UHFFFAOYSA-N
MW467.35 g/mol
LogP5.82
Rot. Bonds8

About methyl 5-chloro-3-[1-(5-chloro-2-methoxy-3-methoxycarbonylphenyl)pent-1-enyl]-2-methoxybenzoate

methyl 5-chloro-3-[1-(5-chloro-2-methoxy-3-methoxycarbonylphenyl)pent-1-enyl]-2-methoxybenzoate (PubChem CID 10073259) has the molecular formula C23H24Cl2O6 and a molecular weight of 467.35 g/mol. Its IUPAC name is methyl 5-chloro-3-[1-(5-chloro-2-methoxy-3-methoxycarbonylphenyl)pent-1-enyl]-2-methoxybenzoate.

Molecular Properties

Compound Namemethyl 5-chloro-3-[1-(5-chloro-2-methoxy-3-methoxycarbonylphenyl)pent-1-enyl]-2-methoxybenzoate
PubChem CID10073259
Molecular FormulaC23H24Cl2O6
Molecular Weight467.35 g/mol
Exact Mass466.09
IUPAC Namemethyl 5-chloro-3-[1-(5-chloro-2-methoxy-3-methoxycarbonylphenyl)pent-1-enyl]-2-methoxybenzoate
SMILESCCCC=C(c1cc(Cl)cc(C(=O)OC)c1OC)c1cc(Cl)cc(C(=O)OC)c1OC
InChIInChI=1S/C23H24Cl2O6/c1-6-7-8-15(16-9-13(24)11-18(20(16)28-2)22(26)30-4)17-10-14(25)12-19(21(17)29-3)23(27)31-5/h8-12H,6-7H2,1-5H3
InChIKeyFUDMYWVRZKCJBS-UHFFFAOYSA-N
XLogP5.82
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.35
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 5-chloro-3-[1-(5-chloro-2-methoxy-3-methoxycarbonylphenyl)pent-1-enyl]-2-methoxybenzoate with MolForge

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Related Compounds

methyl 2-methoxy-3-[1-(2-methoxy-3-methoxycarbonyl-5-nitrophenyl)pent-1-enyl]-5-nitrobenzoate
CID 10672633
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CID 503144
methyl 3-chloro-5-[1-(3-chloro-4-methoxy-5-methoxycarbonylphenyl)-6-methylsulfanyl-6-oxohex-1-enyl]-2-methoxybenzoate
CID 503137
methyl 3-ethyl-2-methoxy-5-methylbenzoate
CID 20687255
methyl 3,5-dichloro-2-(2,4-dichloro-6-methoxycarbonylphenyl)benzoate
CID 2818076
methyl 5-[(Z)-1-(3-chloro-4-methoxy-5-methoxycarbonylphenyl)-6-methoxy-6-oxohex-1-enyl]-2-methoxy-3-methylbenzoate
CID 5327756
methyl 2-methoxy-5-[1-(4-methoxy-3-methoxycarbonyl-5-methylphenyl)-6-oxo-6-propoxyhex-1-enyl]-3-methylbenzoate
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methyl 3-amino-5-chloro-2-ethylbenzoate
CID 86672668
methyl 5-chloro-2-(cyanomethoxy)-3-formylbenzoate
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methyl 3-amino-2-[tert-butyl(dimethyl)silyl]oxy-5-chlorobenzoate
CID 167715726
3,5-dichloro-N-[(4-ethylphenyl)carbamothioyl]-2-methoxybenzamide
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Frequently Asked Questions

What is the IUPAC name of methyl 5-chloro-3-[1-(5-chloro-2-methoxy-3-methoxycarbonylphenyl)pent-1-enyl]-2-methoxybenzoate?
The IUPAC name of methyl 5-chloro-3-[1-(5-chloro-2-methoxy-3-methoxycarbonylphenyl)pent-1-enyl]-2-methoxybenzoate (CID 10073259) is methyl 5-chloro-3-[1-(5-chloro-2-methoxy-3-methoxycarbonylphenyl)pent-1-enyl]-2-methoxybenzoate.
What is the SMILES notation for methyl 5-chloro-3-[1-(5-chloro-2-methoxy-3-methoxycarbonylphenyl)pent-1-enyl]-2-methoxybenzoate?
The canonical SMILES for methyl 5-chloro-3-[1-(5-chloro-2-methoxy-3-methoxycarbonylphenyl)pent-1-enyl]-2-methoxybenzoate is CCCC=C(c1cc(Cl)cc(C(=O)OC)c1OC)c1cc(Cl)cc(C(=O)OC)c1OC.
What is the InChIKey of methyl 5-chloro-3-[1-(5-chloro-2-methoxy-3-methoxycarbonylphenyl)pent-1-enyl]-2-methoxybenzoate?
The InChIKey is FUDMYWVRZKCJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24Cl2O6/c1-6-7-8-15(16-9-13(24)11-18(20(16)28-2)22(26)30-4)17-10-14(25)12-19(21(17)29-3)23(27)31-5/h8-12H,6-7H2,1-5H3.
What are the key properties of methyl 5-chloro-3-[1-(5-chloro-2-methoxy-3-methoxycarbonylphenyl)pent-1-enyl]-2-methoxybenzoate?
methyl 5-chloro-3-[1-(5-chloro-2-methoxy-3-methoxycarbonylphenyl)pent-1-enyl]-2-methoxybenzoate has a molecular weight of 467.35 g/mol, XLogP of 5.82, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-chloro-3-[1-(5-chloro-2-methoxy-3-methoxycarbonylphenyl)pent-1-enyl]-2-methoxybenzoate is sourced from PubChem (CID 10073259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).