1-methyl-3-[3-[3-(3-methylphenoxy)phenyl]cyclopentyl]benzene

C25H26O — CID 163917295

IUPAC1-methyl-3-[3-[3-(3-methylphenoxy)phenyl]cyclopentyl]benzene
SMILESCc1cccc(Oc2cccc(C3CCC(c4cccc(C)c4)C3)c2)c1
InChIInChI=1S/C25H26O/c1-18-6-3-8-20(14-18)22-12-13-23(16-22)21-9-5-11-25(17-21)26-24-10-4-7-19(2)15-24/h3-11,14-15,17,22-23H,12-13,16H2,1-2H3
InChIKeyQXJFDFJVYPGWQU-UHFFFAOYSA-N
MW342.48 g/mol
LogP7.15
Rot. Bonds4

About 1-methyl-3-[3-[3-(3-methylphenoxy)phenyl]cyclopentyl]benzene

1-methyl-3-[3-[3-(3-methylphenoxy)phenyl]cyclopentyl]benzene (PubChem CID 163917295) has the molecular formula C25H26O and a molecular weight of 342.48 g/mol. Its IUPAC name is 1-methyl-3-[3-[3-(3-methylphenoxy)phenyl]cyclopentyl]benzene.

Molecular Properties

Compound Name1-methyl-3-[3-[3-(3-methylphenoxy)phenyl]cyclopentyl]benzene
PubChem CID163917295
Molecular FormulaC25H26O
Molecular Weight342.48 g/mol
Exact Mass342.20
IUPAC Name1-methyl-3-[3-[3-(3-methylphenoxy)phenyl]cyclopentyl]benzene
SMILESCc1cccc(Oc2cccc(C3CCC(c4cccc(C)c4)C3)c2)c1
InChIInChI=1S/C25H26O/c1-18-6-3-8-20(14-18)22-12-13-23(16-22)21-9-5-11-25(17-21)26-24-10-4-7-19(2)15-24/h3-11,14-15,17,22-23H,12-13,16H2,1-2H3
InChIKeyQXJFDFJVYPGWQU-UHFFFAOYSA-N
XLogP7.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.48
LogP ≤ 57.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[3-[3-(3-methylphenoxy)phenyl]cyclopentyl]benzene?
The IUPAC name of 1-methyl-3-[3-[3-(3-methylphenoxy)phenyl]cyclopentyl]benzene (CID 163917295) is 1-methyl-3-[3-[3-(3-methylphenoxy)phenyl]cyclopentyl]benzene.
What is the SMILES notation for 1-methyl-3-[3-[3-(3-methylphenoxy)phenyl]cyclopentyl]benzene?
The canonical SMILES for 1-methyl-3-[3-[3-(3-methylphenoxy)phenyl]cyclopentyl]benzene is Cc1cccc(Oc2cccc(C3CCC(c4cccc(C)c4)C3)c2)c1.
What is the InChIKey of 1-methyl-3-[3-[3-(3-methylphenoxy)phenyl]cyclopentyl]benzene?
The InChIKey is QXJFDFJVYPGWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26O/c1-18-6-3-8-20(14-18)22-12-13-23(16-22)21-9-5-11-25(17-21)26-24-10-4-7-19(2)15-24/h3-11,14-15,17,22-23H,12-13,16H2,1-2H3.
What are the key properties of 1-methyl-3-[3-[3-(3-methylphenoxy)phenyl]cyclopentyl]benzene?
1-methyl-3-[3-[3-(3-methylphenoxy)phenyl]cyclopentyl]benzene has a molecular weight of 342.48 g/mol, XLogP of 7.15, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[3-[3-(3-methylphenoxy)phenyl]cyclopentyl]benzene is sourced from PubChem (CID 163917295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).