1-(3,4-dimethylcyclohexa-1,5-dien-1-yl)oxy-3-(3-methylphenoxy)benzene

C21H22O2 — CID 143570222

IUPAC1-(3,4-dimethylcyclohexa-1,5-dien-1-yl)oxy-3-(3-methylphenoxy)benzene
SMILESCc1cccc(Oc2cccc(OC3=CC(C)C(C)C=C3)c2)c1
InChIInChI=1S/C21H22O2/c1-15-6-4-7-18(12-15)22-19-8-5-9-20(14-19)23-21-11-10-16(2)17(3)13-21/h4-14,16-17H,1-3H3
InChIKeyACXWYWIJYGGOHW-UHFFFAOYSA-N
MW306.41 g/mol
LogP5.89
Rot. Bonds4

About 1-(3,4-dimethylcyclohexa-1,5-dien-1-yl)oxy-3-(3-methylphenoxy)benzene

1-(3,4-dimethylcyclohexa-1,5-dien-1-yl)oxy-3-(3-methylphenoxy)benzene (PubChem CID 143570222) has the molecular formula C21H22O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-(3,4-dimethylcyclohexa-1,5-dien-1-yl)oxy-3-(3-methylphenoxy)benzene.

Molecular Properties

Compound Name1-(3,4-dimethylcyclohexa-1,5-dien-1-yl)oxy-3-(3-methylphenoxy)benzene
PubChem CID143570222
Molecular FormulaC21H22O2
Molecular Weight306.41 g/mol
Exact Mass306.16
IUPAC Name1-(3,4-dimethylcyclohexa-1,5-dien-1-yl)oxy-3-(3-methylphenoxy)benzene
SMILESCc1cccc(Oc2cccc(OC3=CC(C)C(C)C=C3)c2)c1
InChIInChI=1S/C21H22O2/c1-15-6-4-7-18(12-15)22-19-8-5-9-20(14-19)23-21-11-10-16(2)17(3)13-21/h4-14,16-17H,1-3H3
InChIKeyACXWYWIJYGGOHW-UHFFFAOYSA-N
XLogP5.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.41
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dimethylcyclohexa-1,5-dien-1-yl)oxy-3-(4-methylphenoxy)benzene
CID 163884180
1-methyl-3-phenoxybenzene;hydrochloride
CID 175116002
1-methyl-3-[4-[4-(3-methylphenoxy)phenyl]phenoxy]benzene
CID 22967305
1-methyl-3-[3-[3-(3-methylphenoxy)phenyl]sulfonylphenoxy]benzene
CID 54209209
1-chloro-3-(3-methylphenoxy)benzene;ethane
CID 153343625
N,1-dimethyl-4-(3-methylphenoxy)-2H-pyridine-2-carboxamide
CID 142944398
1-chloro-4-(3-methylphenoxy)benzene;yttrium
CID 159299201
4-(3-methylphenoxy)benzene-1,2-diamine
CID 10488820
1-methyl-3-(3-propan-2-ylphenoxy)benzene
CID 70851605
2-chloro-4-(3-methylphenoxy)aniline
CID 106701509
1,2,3-tris(3-methylphenoxy)benzene
CID 139940681
1-methyl-3-[4-(4-methylphenyl)sulfonylphenoxy]benzene
CID 786799

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylcyclohexa-1,5-dien-1-yl)oxy-3-(3-methylphenoxy)benzene?
The IUPAC name of 1-(3,4-dimethylcyclohexa-1,5-dien-1-yl)oxy-3-(3-methylphenoxy)benzene (CID 143570222) is 1-(3,4-dimethylcyclohexa-1,5-dien-1-yl)oxy-3-(3-methylphenoxy)benzene.
What is the SMILES notation for 1-(3,4-dimethylcyclohexa-1,5-dien-1-yl)oxy-3-(3-methylphenoxy)benzene?
The canonical SMILES for 1-(3,4-dimethylcyclohexa-1,5-dien-1-yl)oxy-3-(3-methylphenoxy)benzene is Cc1cccc(Oc2cccc(OC3=CC(C)C(C)C=C3)c2)c1.
What is the InChIKey of 1-(3,4-dimethylcyclohexa-1,5-dien-1-yl)oxy-3-(3-methylphenoxy)benzene?
The InChIKey is ACXWYWIJYGGOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22O2/c1-15-6-4-7-18(12-15)22-19-8-5-9-20(14-19)23-21-11-10-16(2)17(3)13-21/h4-14,16-17H,1-3H3.
What are the key properties of 1-(3,4-dimethylcyclohexa-1,5-dien-1-yl)oxy-3-(3-methylphenoxy)benzene?
1-(3,4-dimethylcyclohexa-1,5-dien-1-yl)oxy-3-(3-methylphenoxy)benzene has a molecular weight of 306.41 g/mol, XLogP of 5.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylcyclohexa-1,5-dien-1-yl)oxy-3-(3-methylphenoxy)benzene is sourced from PubChem (CID 143570222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).