1,4-dimethyl-2-[2-methyl-5-(4-methylphenoxy)phenyl]benzene

C22H22O — CID 134493004

IUPAC1,4-dimethyl-2-[2-methyl-5-(4-methylphenoxy)phenyl]benzene
SMILESCc1ccc(Oc2ccc(C)c(-c3cc(C)ccc3C)c2)cc1
InChIInChI=1S/C22H22O/c1-15-6-10-19(11-7-15)23-20-12-9-18(4)22(14-20)21-13-16(2)5-8-17(21)3/h5-14H,1-4H3
InChIKeyYVUGDFQVSIKMQK-UHFFFAOYSA-N
MW302.42 g/mol
LogP6.38
Rot. Bonds3

About 1,4-dimethyl-2-[2-methyl-5-(4-methylphenoxy)phenyl]benzene

1,4-dimethyl-2-[2-methyl-5-(4-methylphenoxy)phenyl]benzene (PubChem CID 134493004) has the molecular formula C22H22O and a molecular weight of 302.42 g/mol. Its IUPAC name is 1,4-dimethyl-2-[2-methyl-5-(4-methylphenoxy)phenyl]benzene.

Molecular Properties

Compound Name1,4-dimethyl-2-[2-methyl-5-(4-methylphenoxy)phenyl]benzene
PubChem CID134493004
Molecular FormulaC22H22O
Molecular Weight302.42 g/mol
Exact Mass302.17
IUPAC Name1,4-dimethyl-2-[2-methyl-5-(4-methylphenoxy)phenyl]benzene
SMILESCc1ccc(Oc2ccc(C)c(-c3cc(C)ccc3C)c2)cc1
InChIInChI=1S/C22H22O/c1-15-6-10-19(11-7-15)23-20-12-9-18(4)22(14-20)21-13-16(2)5-8-17(21)3/h5-14H,1-4H3
InChIKeyYVUGDFQVSIKMQK-UHFFFAOYSA-N
XLogP6.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.42
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,2-dimethyl-4-(4-methylphenoxy)benzene
CID 15324949
1-methyl-4-(4-methylphenoxy)benzene;dihydrofluoride
CID 174481204
2-(2,5-dimethoxyphenyl)-1,4-dimethylbenzene
CID 9003880
1-methyl-4-(4-methylphenoxy)benzene;1,3-xylene;1,4-xylene
CID 159470463
1-methyl-3-[4-[4-(3-methylphenoxy)phenyl]phenoxy]benzene
CID 22967305
1,4-bis(4-methylphenoxy)-2-phenylbenzene;ethane
CID 144542678
1,3-dimethoxy-5-(4-methylphenoxy)benzene
CID 71396747
N-[4-[4-(N-(3,4-dimethylphenyl)-4-methylanilino)phenoxy]phenyl]-3,4-dimethyl-N-(4-methylphenyl)aniline
CID 71277268
2,4-dimethyl-1-[[4-(4-methylphenoxy)phenyl]methyl]benzene
CID 134556504
[2-methyl-4-(4-methylphenoxy)phenyl]methanol
CID 62134213
1-methyl-2-[4-[4-(3-methylphenyl)phenoxy]phenyl]benzene
CID 70651586
[4-(4-methylphenoxy)phenyl]azanium
CID 142074955

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-2-[2-methyl-5-(4-methylphenoxy)phenyl]benzene?
The IUPAC name of 1,4-dimethyl-2-[2-methyl-5-(4-methylphenoxy)phenyl]benzene (CID 134493004) is 1,4-dimethyl-2-[2-methyl-5-(4-methylphenoxy)phenyl]benzene.
What is the SMILES notation for 1,4-dimethyl-2-[2-methyl-5-(4-methylphenoxy)phenyl]benzene?
The canonical SMILES for 1,4-dimethyl-2-[2-methyl-5-(4-methylphenoxy)phenyl]benzene is Cc1ccc(Oc2ccc(C)c(-c3cc(C)ccc3C)c2)cc1.
What is the InChIKey of 1,4-dimethyl-2-[2-methyl-5-(4-methylphenoxy)phenyl]benzene?
The InChIKey is YVUGDFQVSIKMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O/c1-15-6-10-19(11-7-15)23-20-12-9-18(4)22(14-20)21-13-16(2)5-8-17(21)3/h5-14H,1-4H3.
What are the key properties of 1,4-dimethyl-2-[2-methyl-5-(4-methylphenoxy)phenyl]benzene?
1,4-dimethyl-2-[2-methyl-5-(4-methylphenoxy)phenyl]benzene has a molecular weight of 302.42 g/mol, XLogP of 6.38, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-2-[2-methyl-5-(4-methylphenoxy)phenyl]benzene is sourced from PubChem (CID 134493004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).