1-methyl-4-[2-[4-(4-methylphenoxy)phenyl]ethyl]benzene

C22H22O — CID 126542735

IUPAC1-methyl-4-[2-[4-(4-methylphenoxy)phenyl]ethyl]benzene
SMILESCc1ccc(CCc2ccc(Oc3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C22H22O/c1-17-3-7-19(8-4-17)9-10-20-11-15-22(16-12-20)23-21-13-5-18(2)6-14-21/h3-8,11-16H,9-10H2,1-2H3
InChIKeyQFQXXCLMUVVJRB-UHFFFAOYSA-N
MW302.42 g/mol
LogP5.88
Rot. Bonds5

About 1-methyl-4-[2-[4-(4-methylphenoxy)phenyl]ethyl]benzene

1-methyl-4-[2-[4-(4-methylphenoxy)phenyl]ethyl]benzene (PubChem CID 126542735) has the molecular formula C22H22O and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-methyl-4-[2-[4-(4-methylphenoxy)phenyl]ethyl]benzene.

Molecular Properties

Compound Name1-methyl-4-[2-[4-(4-methylphenoxy)phenyl]ethyl]benzene
PubChem CID126542735
Molecular FormulaC22H22O
Molecular Weight302.42 g/mol
Exact Mass302.17
IUPAC Name1-methyl-4-[2-[4-(4-methylphenoxy)phenyl]ethyl]benzene
SMILESCc1ccc(CCc2ccc(Oc3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C22H22O/c1-17-3-7-19(8-4-17)9-10-20-11-15-22(16-12-20)23-21-13-5-18(2)6-14-21/h3-8,11-16H,9-10H2,1-2H3
InChIKeyQFQXXCLMUVVJRB-UHFFFAOYSA-N
XLogP5.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.42
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[4-(4-methylphenoxy)phenyl]ethanamine
CID 20985599
1-methyl-4-[4-[[4-[4-[[4-[4-[[4-(4-methylphenoxy)phenyl]methyl]phenoxy]phenyl]methyl]phenoxy]phenyl]methyl]phenoxy]benzene
CID 130432775
1-methyl-4-(4-pentylphenoxy)benzene
CID 142415125
1-methyl-4-(4-octylphenoxy)benzene
CID 174658357
1-methyl-4-(4-methylphenoxy)benzene;dihydrofluoride
CID 174481204
2-chloro-1-[2-chloro-4-[2-[4-(4-methylphenoxy)phenyl]ethyl]phenyl]-4-methylbenzene
CID 129147717
1,4-bis[2-(4-methylphenyl)ethyl]benzene;fluoromethane
CID 91266439
acetaldehyde;1-methyl-4-(4-pentylphenoxy)benzene
CID 142415124
1-methyl-4-[2-[4-[2-[2-[4-[2-(4-methylphenyl)ethyl]phenoxy]ethoxy]ethoxy]phenyl]ethyl]benzene
CID 139518655
1-methyl-4-[2-[4-[4-(4-methylphenyl)butyl]phenyl]ethyl]benzene
CID 4174966
tris(4-methylphenyl)-[[4-[4-[tris(4-methylphenyl)phosphaniumylmethyl]phenoxy]phenyl]methyl]phosphanium
CID 57343191
decane;1-methyl-4-(4-methylphenoxy)benzene;octane
CID 90840251

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-[4-(4-methylphenoxy)phenyl]ethyl]benzene?
The IUPAC name of 1-methyl-4-[2-[4-(4-methylphenoxy)phenyl]ethyl]benzene (CID 126542735) is 1-methyl-4-[2-[4-(4-methylphenoxy)phenyl]ethyl]benzene.
What is the SMILES notation for 1-methyl-4-[2-[4-(4-methylphenoxy)phenyl]ethyl]benzene?
The canonical SMILES for 1-methyl-4-[2-[4-(4-methylphenoxy)phenyl]ethyl]benzene is Cc1ccc(CCc2ccc(Oc3ccc(C)cc3)cc2)cc1.
What is the InChIKey of 1-methyl-4-[2-[4-(4-methylphenoxy)phenyl]ethyl]benzene?
The InChIKey is QFQXXCLMUVVJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O/c1-17-3-7-19(8-4-17)9-10-20-11-15-22(16-12-20)23-21-13-5-18(2)6-14-21/h3-8,11-16H,9-10H2,1-2H3.
What are the key properties of 1-methyl-4-[2-[4-(4-methylphenoxy)phenyl]ethyl]benzene?
1-methyl-4-[2-[4-(4-methylphenoxy)phenyl]ethyl]benzene has a molecular weight of 302.42 g/mol, XLogP of 5.88, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-[4-(4-methylphenoxy)phenyl]ethyl]benzene is sourced from PubChem (CID 126542735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).