[3,5-dichloro-4-(2,6-dichloro-4-prop-2-enoyloxyphenyl)phenyl] prop-2-enoate

C18H10Cl4O4 — CID 70544531

IUPAC[3,5-dichloro-4-(2,6-dichloro-4-prop-2-enoyloxyphenyl)phenyl] prop-2-enoate
SMILESC=CC(=O)Oc1cc(Cl)c(-c2c(Cl)cc(OC(=O)C=C)cc2Cl)c(Cl)c1
InChIInChI=1S/C18H10Cl4O4/c1-3-15(23)25-9-5-11(19)17(12(20)6-9)18-13(21)7-10(8-14(18)22)26-16(24)4-2/h3-8H,1-2H2
InChIKeyFQKOBSHMVAANAQ-UHFFFAOYSA-N
MW432.09 g/mol
LogP6.15
Rot. Bonds5

About [3,5-dichloro-4-(2,6-dichloro-4-prop-2-enoyloxyphenyl)phenyl] prop-2-enoate

[3,5-dichloro-4-(2,6-dichloro-4-prop-2-enoyloxyphenyl)phenyl] prop-2-enoate (PubChem CID 70544531) has the molecular formula C18H10Cl4O4 and a molecular weight of 432.09 g/mol. Its IUPAC name is [3,5-dichloro-4-(2,6-dichloro-4-prop-2-enoyloxyphenyl)phenyl] prop-2-enoate.

Molecular Properties

Compound Name[3,5-dichloro-4-(2,6-dichloro-4-prop-2-enoyloxyphenyl)phenyl] prop-2-enoate
PubChem CID70544531
Molecular FormulaC18H10Cl4O4
Molecular Weight432.09 g/mol
Exact Mass429.93
IUPAC Name[3,5-dichloro-4-(2,6-dichloro-4-prop-2-enoyloxyphenyl)phenyl] prop-2-enoate
SMILESC=CC(=O)Oc1cc(Cl)c(-c2c(Cl)cc(OC(=O)C=C)cc2Cl)c(Cl)c1
InChIInChI=1S/C18H10Cl4O4/c1-3-15(23)25-9-5-11(19)17(12(20)6-9)18-13(21)7-10(8-14(18)22)26-16(24)4-2/h3-8H,1-2H2
InChIKeyFQKOBSHMVAANAQ-UHFFFAOYSA-N
XLogP6.15
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.09
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3-chlorophenyl) prop-2-enoate
CID 10241458
3,5-dichloro-4-prop-2-enoyloxybenzoic acid
CID 146222722
[4-bromo-3,5-di(prop-2-enoyloxy)phenyl] prop-2-enoate
CID 141004975
(3,5-ditert-butylphenyl) prop-2-enoate
CID 46835728
(2-benzoyl-3,5-dichlorophenyl) prop-2-enoate
CID 20540258
(4-ethyl-3,5-dimethoxyphenyl) prop-2-enoate
CID 18361938
(3,4,5-trimethoxyphenyl) prop-2-enoate
CID 100954582
(3-carbonochloridoyloxyphenyl) prop-2-enoate
CID 174628554
[3-(2-chlorophenyl)phenyl] prop-2-enoate
CID 174588124
[4-[2-[3,5-di(prop-2-enoyloxy)phenyl]ethyl]phenyl] prop-2-enoate
CID 126633239
[4-[2-[6-[2-(4-prop-2-enoyloxyphenyl)ethyl]naphthalen-2-yl]ethyl]phenyl] prop-2-enoate
CID 121370037
[4-(N-(4-chlorophenyl)-4-prop-2-enoyloxyanilino)phenyl] prop-2-enoate
CID 59832803

Frequently Asked Questions

What is the IUPAC name of [3,5-dichloro-4-(2,6-dichloro-4-prop-2-enoyloxyphenyl)phenyl] prop-2-enoate?
The IUPAC name of [3,5-dichloro-4-(2,6-dichloro-4-prop-2-enoyloxyphenyl)phenyl] prop-2-enoate (CID 70544531) is [3,5-dichloro-4-(2,6-dichloro-4-prop-2-enoyloxyphenyl)phenyl] prop-2-enoate.
What is the SMILES notation for [3,5-dichloro-4-(2,6-dichloro-4-prop-2-enoyloxyphenyl)phenyl] prop-2-enoate?
The canonical SMILES for [3,5-dichloro-4-(2,6-dichloro-4-prop-2-enoyloxyphenyl)phenyl] prop-2-enoate is C=CC(=O)Oc1cc(Cl)c(-c2c(Cl)cc(OC(=O)C=C)cc2Cl)c(Cl)c1.
What is the InChIKey of [3,5-dichloro-4-(2,6-dichloro-4-prop-2-enoyloxyphenyl)phenyl] prop-2-enoate?
The InChIKey is FQKOBSHMVAANAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10Cl4O4/c1-3-15(23)25-9-5-11(19)17(12(20)6-9)18-13(21)7-10(8-14(18)22)26-16(24)4-2/h3-8H,1-2H2.
What are the key properties of [3,5-dichloro-4-(2,6-dichloro-4-prop-2-enoyloxyphenyl)phenyl] prop-2-enoate?
[3,5-dichloro-4-(2,6-dichloro-4-prop-2-enoyloxyphenyl)phenyl] prop-2-enoate has a molecular weight of 432.09 g/mol, XLogP of 6.15, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dichloro-4-(2,6-dichloro-4-prop-2-enoyloxyphenyl)phenyl] prop-2-enoate is sourced from PubChem (CID 70544531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).