4-[4-[2-[4-(3,4-dimethylphenoxy)cyclohexa-1,3-dien-1-yl]propan-2-yl]phenoxy]-1,2-dimethylbenzene

C31H34O2 — CID 71188540

IUPAC4-[4-[2-[4-(3,4-dimethylphenoxy)cyclohexa-1,3-dien-1-yl]propan-2-yl]phenoxy]-1,2-dimethylbenzene
SMILESCc1ccc(OC2=CC=C(C(C)(C)c3ccc(Oc4ccc(C)c(C)c4)cc3)CC2)cc1C
InChIInChI=1S/C31H34O2/c1-21-7-13-29(19-23(21)3)32-27-15-9-25(10-16-27)31(5,6)26-11-17-28(18-12-26)33-30-14-8-22(2)24(4)20-30/h7-11,13-17,19-20H,12,18H2,1-6H3
InChIKeyFKZMRLDQZLYIKV-UHFFFAOYSA-N
MW438.61 g/mol
LogP8.67
Rot. Bonds6

About 4-[4-[2-[4-(3,4-dimethylphenoxy)cyclohexa-1,3-dien-1-yl]propan-2-yl]phenoxy]-1,2-dimethylbenzene

4-[4-[2-[4-(3,4-dimethylphenoxy)cyclohexa-1,3-dien-1-yl]propan-2-yl]phenoxy]-1,2-dimethylbenzene (PubChem CID 71188540) has the molecular formula C31H34O2 and a molecular weight of 438.61 g/mol. Its IUPAC name is 4-[4-[2-[4-(3,4-dimethylphenoxy)cyclohexa-1,3-dien-1-yl]propan-2-yl]phenoxy]-1,2-dimethylbenzene.

Molecular Properties

Compound Name4-[4-[2-[4-(3,4-dimethylphenoxy)cyclohexa-1,3-dien-1-yl]propan-2-yl]phenoxy]-1,2-dimethylbenzene
PubChem CID71188540
Molecular FormulaC31H34O2
Molecular Weight438.61 g/mol
Exact Mass438.26
IUPAC Name4-[4-[2-[4-(3,4-dimethylphenoxy)cyclohexa-1,3-dien-1-yl]propan-2-yl]phenoxy]-1,2-dimethylbenzene
SMILESCc1ccc(OC2=CC=C(C(C)(C)c3ccc(Oc4ccc(C)c(C)c4)cc3)CC2)cc1C
InChIInChI=1S/C31H34O2/c1-21-7-13-29(19-23(21)3)32-27-15-9-25(10-16-27)31(5,6)26-11-17-28(18-12-26)33-30-14-8-22(2)24(4)20-30/h7-11,13-17,19-20H,12,18H2,1-6H3
InChIKeyFKZMRLDQZLYIKV-UHFFFAOYSA-N
XLogP8.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.61
LogP ≤ 58.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[4-[2-[4-(3,4-dimethylphenoxy)cyclohexa-1,3-dien-1-yl]propan-2-yl]phenoxy]-1,2-dimethylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[2-[4-(3,4-dimethylphenoxy)phenyl]propan-2-yl]phenyl] 3,4-dimethylbenzoate
CID 143099401
5-[4-[2-[4-[1,3-dioxo-2-[3-(triphenyl-λ4-polanyl)phenyl]isoindol-5-yl]oxyphenyl]propan-2-yl]cyclohexa-1,3-dien-1-yl]oxy-2-[3-(triphenyl-λ4-polanyl)phenyl]isoindole-1,3-dione
CID 143602400
1,2-dimethyl-4-(4-methylphenoxy)benzene
CID 15324949
1,1-bis[4-(3,4-dimethylphenoxy)phenyl]-N'-methylmethanediamine
CID 167083420
1-[4-[4-[2-(4-methoxycyclohexa-1,3-dien-1-yl)propan-2-yl]cyclohexa-1,3-dien-1-yl]oxyphenyl]sulfonyl-4-methylbenzene
CID 138499016
1-[2-[5-(3,4-dimethylphenoxy)-2-methylphenyl]ethyl]-4-[2-(3,4-dimethylphenyl)propan-2-yl]-2-methylbenzene
CID 170268037
4-(4-tert-butylcyclohexa-1,3-dien-1-yl)oxybenzenesulfinate
CID 163816770
4-(4-bromophenoxy)-1,2-dimethylbenzene
CID 169336658
bis(3,4-dimethylphenyl)methanone;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;4-[4-[2-[4-(3,4-dimethylphenoxy)phenyl]propan-2-yl]phenoxy]-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1-trifluoropropan-2-yl]-1,2-dimethylbenzene
CID 157348839
1,3,5-tris[4-[4-[2-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenyl]propan-2-yl]phenoxy]phenoxy]benzene
CID 102304470
4-[2-(3,4-dimethylphenyl)butan-2-yl]-1,2-dimethylbenzene;1-methyl-4-(4-methylphenoxy)benzene
CID 159088211
[4-(3,4-dimethylphenoxy)phenyl]-dimethylborane
CID 58429995

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-[4-(3,4-dimethylphenoxy)cyclohexa-1,3-dien-1-yl]propan-2-yl]phenoxy]-1,2-dimethylbenzene?
The IUPAC name of 4-[4-[2-[4-(3,4-dimethylphenoxy)cyclohexa-1,3-dien-1-yl]propan-2-yl]phenoxy]-1,2-dimethylbenzene (CID 71188540) is 4-[4-[2-[4-(3,4-dimethylphenoxy)cyclohexa-1,3-dien-1-yl]propan-2-yl]phenoxy]-1,2-dimethylbenzene.
What is the SMILES notation for 4-[4-[2-[4-(3,4-dimethylphenoxy)cyclohexa-1,3-dien-1-yl]propan-2-yl]phenoxy]-1,2-dimethylbenzene?
The canonical SMILES for 4-[4-[2-[4-(3,4-dimethylphenoxy)cyclohexa-1,3-dien-1-yl]propan-2-yl]phenoxy]-1,2-dimethylbenzene is Cc1ccc(OC2=CC=C(C(C)(C)c3ccc(Oc4ccc(C)c(C)c4)cc3)CC2)cc1C.
What is the InChIKey of 4-[4-[2-[4-(3,4-dimethylphenoxy)cyclohexa-1,3-dien-1-yl]propan-2-yl]phenoxy]-1,2-dimethylbenzene?
The InChIKey is FKZMRLDQZLYIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34O2/c1-21-7-13-29(19-23(21)3)32-27-15-9-25(10-16-27)31(5,6)26-11-17-28(18-12-26)33-30-14-8-22(2)24(4)20-30/h7-11,13-17,19-20H,12,18H2,1-6H3.
What are the key properties of 4-[4-[2-[4-(3,4-dimethylphenoxy)cyclohexa-1,3-dien-1-yl]propan-2-yl]phenoxy]-1,2-dimethylbenzene?
4-[4-[2-[4-(3,4-dimethylphenoxy)cyclohexa-1,3-dien-1-yl]propan-2-yl]phenoxy]-1,2-dimethylbenzene has a molecular weight of 438.61 g/mol, XLogP of 8.67, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-[4-(3,4-dimethylphenoxy)cyclohexa-1,3-dien-1-yl]propan-2-yl]phenoxy]-1,2-dimethylbenzene is sourced from PubChem (CID 71188540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).