(4-chlorophenyl)-[3-[(3-ethenylphenyl)methoxy]phenyl]methanone

C22H17ClO2 — CID 57412670

IUPAC(4-chlorophenyl)-[3-[(3-ethenylphenyl)methoxy]phenyl]methanone
SMILESC=Cc1cccc(COc2cccc(C(=O)c3ccc(Cl)cc3)c2)c1
InChIInChI=1S/C22H17ClO2/c1-2-16-5-3-6-17(13-16)15-25-21-8-4-7-19(14-21)22(24)18-9-11-20(23)12-10-18/h2-14H,1,15H2
InChIKeyHCZJRYKXSGBYFN-UHFFFAOYSA-N
MW348.83 g/mol
LogP5.79
Rot. Bonds6

About (4-chlorophenyl)-[3-[(3-ethenylphenyl)methoxy]phenyl]methanone

(4-chlorophenyl)-[3-[(3-ethenylphenyl)methoxy]phenyl]methanone (PubChem CID 57412670) has the molecular formula C22H17ClO2 and a molecular weight of 348.83 g/mol. Its IUPAC name is (4-chlorophenyl)-[3-[(3-ethenylphenyl)methoxy]phenyl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[3-[(3-ethenylphenyl)methoxy]phenyl]methanone
PubChem CID57412670
Molecular FormulaC22H17ClO2
Molecular Weight348.83 g/mol
Exact Mass348.09
IUPAC Name(4-chlorophenyl)-[3-[(3-ethenylphenyl)methoxy]phenyl]methanone
SMILESC=Cc1cccc(COc2cccc(C(=O)c3ccc(Cl)cc3)c2)c1
InChIInChI=1S/C22H17ClO2/c1-2-16-5-3-6-17(13-16)15-25-21-8-4-7-19(14-21)22(24)18-9-11-20(23)12-10-18/h2-14H,1,15H2
InChIKeyHCZJRYKXSGBYFN-UHFFFAOYSA-N
XLogP5.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.83
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-ethenylphenyl)methoxy]benzoic acid
CID 168678013
(E)-3-[3-[(3-chlorophenyl)methoxy]phenyl]prop-2-enoic acid
CID 42303981
3-[3-[(3-chlorophenyl)methoxy]phenyl]prop-2-enoic acid
CID 20984640
3-[(4-chlorophenyl)methoxy]-N-methylsulfonylbenzamide
CID 146154395
4-[3-[(4-chlorophenyl)methoxy]phenyl]-2,4-dioxobutanoic acid
CID 91935361
4-[(4-chlorophenyl)methoxy]-N-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 3585979
[4-(phenoxymethyl)phenyl]-phenylmethanone
CID 1262878
2-benzamido-3-[3-[(4-chlorophenyl)methoxy]phenyl]prop-2-enoic acid
CID 4772674
N-[[3-[(3-chlorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 22685923
(NZ)-N-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 91681560
(5E)-5-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione
CID 126228603
furan-3-yl-(3-phenylmethoxyphenyl)methanone
CID 105099100

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[3-[(3-ethenylphenyl)methoxy]phenyl]methanone?
The IUPAC name of (4-chlorophenyl)-[3-[(3-ethenylphenyl)methoxy]phenyl]methanone (CID 57412670) is (4-chlorophenyl)-[3-[(3-ethenylphenyl)methoxy]phenyl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[3-[(3-ethenylphenyl)methoxy]phenyl]methanone?
The canonical SMILES for (4-chlorophenyl)-[3-[(3-ethenylphenyl)methoxy]phenyl]methanone is C=Cc1cccc(COc2cccc(C(=O)c3ccc(Cl)cc3)c2)c1.
What is the InChIKey of (4-chlorophenyl)-[3-[(3-ethenylphenyl)methoxy]phenyl]methanone?
The InChIKey is HCZJRYKXSGBYFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClO2/c1-2-16-5-3-6-17(13-16)15-25-21-8-4-7-19(14-21)22(24)18-9-11-20(23)12-10-18/h2-14H,1,15H2.
What are the key properties of (4-chlorophenyl)-[3-[(3-ethenylphenyl)methoxy]phenyl]methanone?
(4-chlorophenyl)-[3-[(3-ethenylphenyl)methoxy]phenyl]methanone has a molecular weight of 348.83 g/mol, XLogP of 5.79, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[3-[(3-ethenylphenyl)methoxy]phenyl]methanone is sourced from PubChem (CID 57412670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).