1,4-dichloro-2-[[1-[2-(2-methoxy-4-methylphenyl)phenyl]cyclopropyl]oxymethyl]benzene

C24H22Cl2O2 — CID 146410202

IUPAC1,4-dichloro-2-[[1-[2-(2-methoxy-4-methylphenyl)phenyl]cyclopropyl]oxymethyl]benzene
SMILESCOc1cc(C)ccc1-c1ccccc1C1(OCc2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C24H22Cl2O2/c1-16-7-9-20(23(13-16)27-2)19-5-3-4-6-21(19)24(11-12-24)28-15-17-14-18(25)8-10-22(17)26/h3-10,13-14H,11-12,15H2,1-2H3
InChIKeyRUQBREQZTJPBMI-UHFFFAOYSA-N
MW413.34 g/mol
LogP7.18
Rot. Bonds6

About 1,4-dichloro-2-[[1-[2-(2-methoxy-4-methylphenyl)phenyl]cyclopropyl]oxymethyl]benzene

1,4-dichloro-2-[[1-[2-(2-methoxy-4-methylphenyl)phenyl]cyclopropyl]oxymethyl]benzene (PubChem CID 146410202) has the molecular formula C24H22Cl2O2 and a molecular weight of 413.34 g/mol. Its IUPAC name is 1,4-dichloro-2-[[1-[2-(2-methoxy-4-methylphenyl)phenyl]cyclopropyl]oxymethyl]benzene.

Molecular Properties

Compound Name1,4-dichloro-2-[[1-[2-(2-methoxy-4-methylphenyl)phenyl]cyclopropyl]oxymethyl]benzene
PubChem CID146410202
Molecular FormulaC24H22Cl2O2
Molecular Weight413.34 g/mol
Exact Mass412.10
IUPAC Name1,4-dichloro-2-[[1-[2-(2-methoxy-4-methylphenyl)phenyl]cyclopropyl]oxymethyl]benzene
SMILESCOc1cc(C)ccc1-c1ccccc1C1(OCc2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C24H22Cl2O2/c1-16-7-9-20(23(13-16)27-2)19-5-3-4-6-21(19)24(11-12-24)28-15-17-14-18(25)8-10-22(17)26/h3-10,13-14H,11-12,15H2,1-2H3
InChIKeyRUQBREQZTJPBMI-UHFFFAOYSA-N
XLogP7.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.34
LogP ≤ 57.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4-dichloro-2-[[1-[2-(2-methoxy-4-methylphenyl)phenyl]cyclopropyl]oxymethyl]benzene?
The IUPAC name of 1,4-dichloro-2-[[1-[2-(2-methoxy-4-methylphenyl)phenyl]cyclopropyl]oxymethyl]benzene (CID 146410202) is 1,4-dichloro-2-[[1-[2-(2-methoxy-4-methylphenyl)phenyl]cyclopropyl]oxymethyl]benzene.
What is the SMILES notation for 1,4-dichloro-2-[[1-[2-(2-methoxy-4-methylphenyl)phenyl]cyclopropyl]oxymethyl]benzene?
The canonical SMILES for 1,4-dichloro-2-[[1-[2-(2-methoxy-4-methylphenyl)phenyl]cyclopropyl]oxymethyl]benzene is COc1cc(C)ccc1-c1ccccc1C1(OCc2cc(Cl)ccc2Cl)CC1.
What is the InChIKey of 1,4-dichloro-2-[[1-[2-(2-methoxy-4-methylphenyl)phenyl]cyclopropyl]oxymethyl]benzene?
The InChIKey is RUQBREQZTJPBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl2O2/c1-16-7-9-20(23(13-16)27-2)19-5-3-4-6-21(19)24(11-12-24)28-15-17-14-18(25)8-10-22(17)26/h3-10,13-14H,11-12,15H2,1-2H3.
What are the key properties of 1,4-dichloro-2-[[1-[2-(2-methoxy-4-methylphenyl)phenyl]cyclopropyl]oxymethyl]benzene?
1,4-dichloro-2-[[1-[2-(2-methoxy-4-methylphenyl)phenyl]cyclopropyl]oxymethyl]benzene has a molecular weight of 413.34 g/mol, XLogP of 7.18, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dichloro-2-[[1-[2-(2-methoxy-4-methylphenyl)phenyl]cyclopropyl]oxymethyl]benzene is sourced from PubChem (CID 146410202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).