1-methyl-4-(4-methylphenoxy)benzene;1,3-xylene;1,4-xylene

C30H34O — CID 159470463

IUPAC1-methyl-4-(4-methylphenoxy)benzene;1,3-xylene;1,4-xylene
SMILESCc1ccc(C)cc1.Cc1ccc(Oc2ccc(C)cc2)cc1.Cc1cccc(C)c1
InChIInChI=1S/C14H14O.2C8H10/c1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7/h3-10H,1-2H3;2*3-6H,1-2H3
InChIKeyLVSROGDYKRKYQG-UHFFFAOYSA-N
MW410.60 g/mol
LogP8.70
Rot. Bonds2

About 1-methyl-4-(4-methylphenoxy)benzene;1,3-xylene;1,4-xylene

1-methyl-4-(4-methylphenoxy)benzene;1,3-xylene;1,4-xylene (PubChem CID 159470463) has the molecular formula C30H34O and a molecular weight of 410.60 g/mol. Its IUPAC name is 1-methyl-4-(4-methylphenoxy)benzene;1,3-xylene;1,4-xylene.

Molecular Properties

Compound Name1-methyl-4-(4-methylphenoxy)benzene;1,3-xylene;1,4-xylene
PubChem CID159470463
Molecular FormulaC30H34O
Molecular Weight410.60 g/mol
Exact Mass410.26
IUPAC Name1-methyl-4-(4-methylphenoxy)benzene;1,3-xylene;1,4-xylene
SMILESCc1ccc(C)cc1.Cc1ccc(Oc2ccc(C)cc2)cc1.Cc1cccc(C)c1
InChIInChI=1S/C14H14O.2C8H10/c1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7/h3-10H,1-2H3;2*3-6H,1-2H3
InChIKeyLVSROGDYKRKYQG-UHFFFAOYSA-N
XLogP8.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.60
LogP ≤ 58.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-3-[4-[4-(3-methylphenoxy)phenyl]phenoxy]benzene
CID 22967305
1,3-bis(4-methylphenoxy)benzene;1,4-bis(4-methylphenoxy)benzene;methane;1-methyl-4-[4-[4-(4-methylphenoxy)phenoxy]phenoxy]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1,3-xylene
CID 161224298
methane;1,3-xylene;1,4-xylene
CID 161051420
1-methyl-4-(4-methylphenoxy)benzene;dihydrofluoride
CID 174481204
ethane;1,3-xylene;1,4-xylene
CID 145425556
4-[3-[4-(4-methylphenoxy)phenoxy]phenoxy]aniline
CID 174332616
4-[3-[4-[3-(4-methylphenoxy)phenoxy]phenoxy]phenoxy]aniline
CID 174332614
1-methyl-3-[4-(4-methylphenyl)sulfonylphenoxy]benzene
CID 786799
1-methyl-3-phenoxybenzene;hydrochloride
CID 175116002
4-[3-(4-aminophenoxy)phenoxy]aniline;toluene;hydrochloride
CID 70184053
4-(3-methylphenoxy)benzene-1,2-diamine
CID 10488820
1-chloro-4-(3-methylphenoxy)benzene;yttrium
CID 159299201

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(4-methylphenoxy)benzene;1,3-xylene;1,4-xylene?
The IUPAC name of 1-methyl-4-(4-methylphenoxy)benzene;1,3-xylene;1,4-xylene (CID 159470463) is 1-methyl-4-(4-methylphenoxy)benzene;1,3-xylene;1,4-xylene.
What is the SMILES notation for 1-methyl-4-(4-methylphenoxy)benzene;1,3-xylene;1,4-xylene?
The canonical SMILES for 1-methyl-4-(4-methylphenoxy)benzene;1,3-xylene;1,4-xylene is Cc1ccc(C)cc1.Cc1ccc(Oc2ccc(C)cc2)cc1.Cc1cccc(C)c1.
What is the InChIKey of 1-methyl-4-(4-methylphenoxy)benzene;1,3-xylene;1,4-xylene?
The InChIKey is LVSROGDYKRKYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O.2C8H10/c1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7/h3-10H,1-2H3;2*3-6H,1-2H3.
What are the key properties of 1-methyl-4-(4-methylphenoxy)benzene;1,3-xylene;1,4-xylene?
1-methyl-4-(4-methylphenoxy)benzene;1,3-xylene;1,4-xylene has a molecular weight of 410.60 g/mol, XLogP of 8.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(4-methylphenoxy)benzene;1,3-xylene;1,4-xylene is sourced from PubChem (CID 159470463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).