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

C21H22O2 — CID 163884180

IUPAC1-(3,4-dimethylcyclohexa-1,5-dien-1-yl)oxy-3-(4-methylphenoxy)benzene
SMILESCc1ccc(Oc2cccc(OC3=CC(C)C(C)C=C3)c2)cc1
InChIInChI=1S/C21H22O2/c1-15-7-10-18(11-8-15)22-19-5-4-6-20(14-19)23-21-12-9-16(2)17(3)13-21/h4-14,16-17H,1-3H3
InChIKeyPVWXIXRFGQYTJF-UHFFFAOYSA-N
MW306.41 g/mol
LogP5.89
Rot. Bonds4

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

1-(3,4-dimethylcyclohexa-1,5-dien-1-yl)oxy-3-(4-methylphenoxy)benzene (PubChem CID 163884180) 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-(4-methylphenoxy)benzene.

Molecular Properties

Compound Name1-(3,4-dimethylcyclohexa-1,5-dien-1-yl)oxy-3-(4-methylphenoxy)benzene
PubChem CID163884180
Molecular FormulaC21H22O2
Molecular Weight306.41 g/mol
Exact Mass306.16
IUPAC Name1-(3,4-dimethylcyclohexa-1,5-dien-1-yl)oxy-3-(4-methylphenoxy)benzene
SMILESCc1ccc(Oc2cccc(OC3=CC(C)C(C)C=C3)c2)cc1
InChIInChI=1S/C21H22O2/c1-15-7-10-18(11-8-15)22-19-5-4-6-20(14-19)23-21-12-9-16(2)17(3)13-21/h4-14,16-17H,1-3H3
InChIKeyPVWXIXRFGQYTJF-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-(3-methylphenoxy)benzene
CID 143570222
4-[3-[4-(4-methylphenoxy)phenoxy]phenoxy]aniline
CID 174332616
4-[3-[4-[3-(4-methylphenoxy)phenoxy]phenoxy]phenoxy]aniline
CID 174332614
1-methyl-4-(4-methylphenoxy)benzene;1,3-xylene;1,4-xylene
CID 159470463
[4-[3-[4-(4-methylbenzoyl)phenoxy]phenoxy]phenyl]-(4-methylphenyl)methanone
CID 90192164
1-methyl-3-[4-[4-(3-methylphenoxy)phenyl]phenoxy]benzene
CID 22967305
1-methyl-3-[4-(4-methylphenyl)sulfonylphenoxy]benzene
CID 786799
[3-(4-methylphenoxy)phenyl] dihydrogen phosphate
CID 19105360
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
1-methyl-4-(4-methylphenoxy)benzene;dihydrofluoride
CID 174481204
[3-(4-methylphenoxy)phenyl]boronic acid
CID 163253669
4-[3-(4-aminophenoxy)phenoxy]aniline;toluene;hydrochloride
CID 70184053

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylcyclohexa-1,5-dien-1-yl)oxy-3-(4-methylphenoxy)benzene?
The IUPAC name of 1-(3,4-dimethylcyclohexa-1,5-dien-1-yl)oxy-3-(4-methylphenoxy)benzene (CID 163884180) is 1-(3,4-dimethylcyclohexa-1,5-dien-1-yl)oxy-3-(4-methylphenoxy)benzene.
What is the SMILES notation for 1-(3,4-dimethylcyclohexa-1,5-dien-1-yl)oxy-3-(4-methylphenoxy)benzene?
The canonical SMILES for 1-(3,4-dimethylcyclohexa-1,5-dien-1-yl)oxy-3-(4-methylphenoxy)benzene is Cc1ccc(Oc2cccc(OC3=CC(C)C(C)C=C3)c2)cc1.
What is the InChIKey of 1-(3,4-dimethylcyclohexa-1,5-dien-1-yl)oxy-3-(4-methylphenoxy)benzene?
The InChIKey is PVWXIXRFGQYTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22O2/c1-15-7-10-18(11-8-15)22-19-5-4-6-20(14-19)23-21-12-9-16(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-(4-methylphenoxy)benzene?
1-(3,4-dimethylcyclohexa-1,5-dien-1-yl)oxy-3-(4-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-(4-methylphenoxy)benzene is sourced from PubChem (CID 163884180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).