cyclopropyl-[4-[(3,4-dichlorophenyl)methoxy]phenyl]methanone

C17H14Cl2O2 — CID 6482542

IUPACcyclopropyl-[4-[(3,4-dichlorophenyl)methoxy]phenyl]methanone
SMILESO=C(c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)C1CC1
InChIInChI=1S/C17H14Cl2O2/c18-15-8-1-11(9-16(15)19)10-21-14-6-4-13(5-7-14)17(20)12-2-3-12/h1,4-9,12H,2-3,10H2
InChIKeyUGEYTIIEQRDJTH-UHFFFAOYSA-N
MW321.20 g/mol
LogP5.17
Rot. Bonds5

About cyclopropyl-[4-[(3,4-dichlorophenyl)methoxy]phenyl]methanone

cyclopropyl-[4-[(3,4-dichlorophenyl)methoxy]phenyl]methanone (PubChem CID 6482542) has the molecular formula C17H14Cl2O2 and a molecular weight of 321.20 g/mol. Its IUPAC name is cyclopropyl-[4-[(3,4-dichlorophenyl)methoxy]phenyl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[(3,4-dichlorophenyl)methoxy]phenyl]methanone
PubChem CID6482542
Molecular FormulaC17H14Cl2O2
Molecular Weight321.20 g/mol
Exact Mass320.04
IUPAC Namecyclopropyl-[4-[(3,4-dichlorophenyl)methoxy]phenyl]methanone
SMILESO=C(c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)C1CC1
InChIInChI=1S/C17H14Cl2O2/c18-15-8-1-11(9-16(15)19)10-21-14-6-4-13(5-7-14)17(20)12-2-3-12/h1,4-9,12H,2-3,10H2
InChIKeyUGEYTIIEQRDJTH-UHFFFAOYSA-N
XLogP5.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.20
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[(3,4-dichlorophenyl)methoxy]phenyl]methanone?
The IUPAC name of cyclopropyl-[4-[(3,4-dichlorophenyl)methoxy]phenyl]methanone (CID 6482542) is cyclopropyl-[4-[(3,4-dichlorophenyl)methoxy]phenyl]methanone.
What is the SMILES notation for cyclopropyl-[4-[(3,4-dichlorophenyl)methoxy]phenyl]methanone?
The canonical SMILES for cyclopropyl-[4-[(3,4-dichlorophenyl)methoxy]phenyl]methanone is O=C(c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)C1CC1.
What is the InChIKey of cyclopropyl-[4-[(3,4-dichlorophenyl)methoxy]phenyl]methanone?
The InChIKey is UGEYTIIEQRDJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2O2/c18-15-8-1-11(9-16(15)19)10-21-14-6-4-13(5-7-14)17(20)12-2-3-12/h1,4-9,12H,2-3,10H2.
What are the key properties of cyclopropyl-[4-[(3,4-dichlorophenyl)methoxy]phenyl]methanone?
cyclopropyl-[4-[(3,4-dichlorophenyl)methoxy]phenyl]methanone has a molecular weight of 321.20 g/mol, XLogP of 5.17, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[(3,4-dichlorophenyl)methoxy]phenyl]methanone is sourced from PubChem (CID 6482542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).