1-methyl-4-[4-[4-(2-methylbutyl)phenyl]phenoxy]benzene

C24H26O — CID 20641212

IUPAC1-methyl-4-[4-[4-(2-methylbutyl)phenyl]phenoxy]benzene
SMILESCCC(C)Cc1ccc(-c2ccc(Oc3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C24H26O/c1-4-18(2)17-20-7-9-21(10-8-20)22-11-15-24(16-12-22)25-23-13-5-19(3)6-14-23/h5-16,18H,4,17H2,1-3H3
InChIKeyHSEQQEQPVBPXBK-UHFFFAOYSA-N
MW330.47 g/mol
LogP7.04
Rot. Bonds6

About 1-methyl-4-[4-[4-(2-methylbutyl)phenyl]phenoxy]benzene

1-methyl-4-[4-[4-(2-methylbutyl)phenyl]phenoxy]benzene (PubChem CID 20641212) has the molecular formula C24H26O and a molecular weight of 330.47 g/mol. Its IUPAC name is 1-methyl-4-[4-[4-(2-methylbutyl)phenyl]phenoxy]benzene.

Molecular Properties

Compound Name1-methyl-4-[4-[4-(2-methylbutyl)phenyl]phenoxy]benzene
PubChem CID20641212
Molecular FormulaC24H26O
Molecular Weight330.47 g/mol
Exact Mass330.20
IUPAC Name1-methyl-4-[4-[4-(2-methylbutyl)phenyl]phenoxy]benzene
SMILESCCC(C)Cc1ccc(-c2ccc(Oc3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C24H26O/c1-4-18(2)17-20-7-9-21(10-8-20)22-11-15-24(16-12-22)25-23-13-5-19(3)6-14-23/h5-16,18H,4,17H2,1-3H3
InChIKeyHSEQQEQPVBPXBK-UHFFFAOYSA-N
XLogP7.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.47
LogP ≤ 57.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-methyl-4-[4-[4-(2-methylbutyl)phenyl]phenoxy]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-4-[(2R)-2-methylbutyl]benzene
CID 59123946
formaldehyde;1-methyl-4-(2-methylbutyl)benzene
CID 143236225
1,4-bis(2-methylbutyl)benzene;ethane
CID 145016411
1-(2,3-dimethylpentyl)-4-methylbenzene
CID 91405313
1-[(2R)-2-methylbutyl]-4-(2-methylpropoxy)benzene
CID 144625021
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-[2-[4-(4-methylphenoxy)phenyl]ethyl]benzene
CID 126542735
ethane;formaldehyde;1-methoxy-4-[(2S)-2-methylbutyl]benzene
CID 171097729
tris(4-methylphenyl)-[[4-[4-[tris(4-methylphenyl)phosphaniumylmethyl]phenoxy]phenyl]methyl]phosphanium
CID 57343191
1-methyl-4-(4-pentylphenoxy)benzene
CID 142415125
methane;4-[4-(2-methylbutyl)phenyl]benzonitrile
CID 169426211
1-[4-[4-[(2S)-2-methylbutyl]phenyl]phenyl]ethanone
CID 97304566

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-[4-(2-methylbutyl)phenyl]phenoxy]benzene?
The IUPAC name of 1-methyl-4-[4-[4-(2-methylbutyl)phenyl]phenoxy]benzene (CID 20641212) is 1-methyl-4-[4-[4-(2-methylbutyl)phenyl]phenoxy]benzene.
What is the SMILES notation for 1-methyl-4-[4-[4-(2-methylbutyl)phenyl]phenoxy]benzene?
The canonical SMILES for 1-methyl-4-[4-[4-(2-methylbutyl)phenyl]phenoxy]benzene is CCC(C)Cc1ccc(-c2ccc(Oc3ccc(C)cc3)cc2)cc1.
What is the InChIKey of 1-methyl-4-[4-[4-(2-methylbutyl)phenyl]phenoxy]benzene?
The InChIKey is HSEQQEQPVBPXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26O/c1-4-18(2)17-20-7-9-21(10-8-20)22-11-15-24(16-12-22)25-23-13-5-19(3)6-14-23/h5-16,18H,4,17H2,1-3H3.
What are the key properties of 1-methyl-4-[4-[4-(2-methylbutyl)phenyl]phenoxy]benzene?
1-methyl-4-[4-[4-(2-methylbutyl)phenyl]phenoxy]benzene has a molecular weight of 330.47 g/mol, XLogP of 7.04, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-[4-(2-methylbutyl)phenyl]phenoxy]benzene is sourced from PubChem (CID 20641212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).