1,4-bis(2,5-dimethylphenoxy)-2-methylbenzene

C23H24O2 — CID 160687040

IUPAC1,4-bis(2,5-dimethylphenoxy)-2-methylbenzene
SMILESCc1ccc(C)c(Oc2ccc(Oc3cc(C)ccc3C)c(C)c2)c1
InChIInChI=1S/C23H24O2/c1-15-6-8-17(3)22(12-15)24-20-10-11-21(19(5)14-20)25-23-13-16(2)7-9-18(23)4/h6-14H,1-5H3
InChIKeyROXBGSSROYZDAG-UHFFFAOYSA-N
MW332.44 g/mol
LogP6.81
Rot. Bonds4

About 1,4-bis(2,5-dimethylphenoxy)-2-methylbenzene

1,4-bis(2,5-dimethylphenoxy)-2-methylbenzene (PubChem CID 160687040) has the molecular formula C23H24O2 and a molecular weight of 332.44 g/mol. Its IUPAC name is 1,4-bis(2,5-dimethylphenoxy)-2-methylbenzene.

Molecular Properties

Compound Name1,4-bis(2,5-dimethylphenoxy)-2-methylbenzene
PubChem CID160687040
Molecular FormulaC23H24O2
Molecular Weight332.44 g/mol
Exact Mass332.18
IUPAC Name1,4-bis(2,5-dimethylphenoxy)-2-methylbenzene
SMILESCc1ccc(C)c(Oc2ccc(Oc3cc(C)ccc3C)c(C)c2)c1
InChIInChI=1S/C23H24O2/c1-15-6-8-17(3)22(12-15)24-20-10-11-21(19(5)14-20)25-23-13-16(2)7-9-18(23)4/h6-14H,1-5H3
InChIKeyROXBGSSROYZDAG-UHFFFAOYSA-N
XLogP6.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.44
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

carbon monoxide;2,4-dimethyl-1-(4-methylphenoxy)benzene
CID 91264614
1,2-dichloro-4-[3-chloro-4-(2,4-dimethylphenoxy)phenoxy]benzene
CID 67893432
1-[5-(2,4-dimethylphenoxy)-2-methylphenyl]ethanone
CID 59067571
4-(2,5-dimethylphenoxy)benzoic acid
CID 22684928
1-[4-(2,5-dimethylphenoxy)-2-methylphenyl]butan-2-amine
CID 63802262
1-(2,5-dimethylphenoxy)-2,3,4,5-tetramethylbenzene
CID 71382789
1,2-dimethoxy-4-(5-methoxy-2-methylphenoxy)benzene
CID 123959246
1,4-dimethyl-2-(4-nitrophenoxy)benzene
CID 22164458
[2-(3,4-dimethylphenoxy)-4-methylphenyl]methanamine
CID 62309021
4-(2,5-dimethylphenoxy)-2,3-dimethylphenol
CID 18994510
1-(2,5-dimethylphenoxy)-2,3-dimethylbenzene
CID 19792455
4-[3-(2,4-diaminophenoxy)-4-methylphenoxy]benzene-1,3-diamine
CID 141165190

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(2,5-dimethylphenoxy)-2-methylbenzene?
The IUPAC name of 1,4-bis(2,5-dimethylphenoxy)-2-methylbenzene (CID 160687040) is 1,4-bis(2,5-dimethylphenoxy)-2-methylbenzene.
What is the SMILES notation for 1,4-bis(2,5-dimethylphenoxy)-2-methylbenzene?
The canonical SMILES for 1,4-bis(2,5-dimethylphenoxy)-2-methylbenzene is Cc1ccc(C)c(Oc2ccc(Oc3cc(C)ccc3C)c(C)c2)c1.
What is the InChIKey of 1,4-bis(2,5-dimethylphenoxy)-2-methylbenzene?
The InChIKey is ROXBGSSROYZDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O2/c1-15-6-8-17(3)22(12-15)24-20-10-11-21(19(5)14-20)25-23-13-16(2)7-9-18(23)4/h6-14H,1-5H3.
What are the key properties of 1,4-bis(2,5-dimethylphenoxy)-2-methylbenzene?
1,4-bis(2,5-dimethylphenoxy)-2-methylbenzene has a molecular weight of 332.44 g/mol, XLogP of 6.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(2,5-dimethylphenoxy)-2-methylbenzene is sourced from PubChem (CID 160687040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).