bis[4-chloro-2-(3-ethenoxypropyl)phenyl]methanone

C23H24Cl2O3 — CID 67709885

IUPACbis[4-chloro-2-(3-ethenoxypropyl)phenyl]methanone
SMILESC=COCCCc1cc(Cl)ccc1C(=O)c1ccc(Cl)cc1CCCOC=C
InChIInChI=1S/C23H24Cl2O3/c1-3-27-13-5-7-17-15-19(24)9-11-21(17)23(26)22-12-10-20(25)16-18(22)8-6-14-28-4-2/h3-4,9-12,15-16H,1-2,5-8,13-14H2
InChIKeyCCURWGZVKXGKSB-UHFFFAOYSA-N
MW419.35 g/mol
LogP6.41
Rot. Bonds12

About bis[4-chloro-2-(3-ethenoxypropyl)phenyl]methanone

bis[4-chloro-2-(3-ethenoxypropyl)phenyl]methanone (PubChem CID 67709885) has the molecular formula C23H24Cl2O3 and a molecular weight of 419.35 g/mol. Its IUPAC name is bis[4-chloro-2-(3-ethenoxypropyl)phenyl]methanone.

Molecular Properties

Compound Namebis[4-chloro-2-(3-ethenoxypropyl)phenyl]methanone
PubChem CID67709885
Molecular FormulaC23H24Cl2O3
Molecular Weight419.35 g/mol
Exact Mass418.11
IUPAC Namebis[4-chloro-2-(3-ethenoxypropyl)phenyl]methanone
SMILESC=COCCCc1cc(Cl)ccc1C(=O)c1ccc(Cl)cc1CCCOC=C
InChIInChI=1S/C23H24Cl2O3/c1-3-27-13-5-7-17-15-19(24)9-11-21(17)23(26)22-12-10-20(25)16-18(22)8-6-14-28-4-2/h3-4,9-12,15-16H,1-2,5-8,13-14H2
InChIKeyCCURWGZVKXGKSB-UHFFFAOYSA-N
XLogP6.41
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.35
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-bromo-4-chloro-N-(3-ethenoxypropyl)benzamide
CID 107988215
3-(5-chloro-2-methylphenyl)propyl acetate
CID 18984733
4-chloro-2-propylbenzoyl chloride
CID 141018159
3-(2-benzoyl-5-chlorophenyl)propanamide
CID 19903203
2,6-dichloro-N-(3-ethenoxypropyl)pyridine-3-carboxamide
CID 106993547
4-chloro-2-hept-6-enoxybenzoic acid
CID 107005942
ethyl 2-(2-bromoethyl)-4-chlorobenzoate
CID 174442445
(2,4-dichlorophenyl)-(2-ethylphenyl)methanone
CID 79020257
bis(2-amino-4-chlorophenyl)methanone
CID 15130044
2-[5-chloro-2-(3-phenylpropoxy)phenyl]acetic acid
CID 10638258
4-chloro-2-(cyanomethyl)benzoic acid
CID 12603203
5-(2,5-dichlorophenyl)-1-hydroxypentan-2-one
CID 11543297

Frequently Asked Questions

What is the IUPAC name of bis[4-chloro-2-(3-ethenoxypropyl)phenyl]methanone?
The IUPAC name of bis[4-chloro-2-(3-ethenoxypropyl)phenyl]methanone (CID 67709885) is bis[4-chloro-2-(3-ethenoxypropyl)phenyl]methanone.
What is the SMILES notation for bis[4-chloro-2-(3-ethenoxypropyl)phenyl]methanone?
The canonical SMILES for bis[4-chloro-2-(3-ethenoxypropyl)phenyl]methanone is C=COCCCc1cc(Cl)ccc1C(=O)c1ccc(Cl)cc1CCCOC=C.
What is the InChIKey of bis[4-chloro-2-(3-ethenoxypropyl)phenyl]methanone?
The InChIKey is CCURWGZVKXGKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24Cl2O3/c1-3-27-13-5-7-17-15-19(24)9-11-21(17)23(26)22-12-10-20(25)16-18(22)8-6-14-28-4-2/h3-4,9-12,15-16H,1-2,5-8,13-14H2.
What are the key properties of bis[4-chloro-2-(3-ethenoxypropyl)phenyl]methanone?
bis[4-chloro-2-(3-ethenoxypropyl)phenyl]methanone has a molecular weight of 419.35 g/mol, XLogP of 6.41, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-chloro-2-(3-ethenoxypropyl)phenyl]methanone is sourced from PubChem (CID 67709885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).