1-(3-methylpentan-3-yloxy)-4-[2-(4-propan-2-yloxyphenyl)propan-2-yl]benzene

C24H34O2 — CID 70794455

IUPAC1-(3-methylpentan-3-yloxy)-4-[2-(4-propan-2-yloxyphenyl)propan-2-yl]benzene
SMILESCCC(C)(CC)Oc1ccc(C(C)(C)c2ccc(OC(C)C)cc2)cc1
InChIInChI=1S/C24H34O2/c1-8-24(7,9-2)26-22-16-12-20(13-17-22)23(5,6)19-10-14-21(15-11-19)25-18(3)4/h10-18H,8-9H2,1-7H3
InChIKeyUNLCRDFLJLMNDH-UHFFFAOYSA-N
MW354.53 g/mol
LogP6.76
Rot. Bonds8

About 1-(3-methylpentan-3-yloxy)-4-[2-(4-propan-2-yloxyphenyl)propan-2-yl]benzene

1-(3-methylpentan-3-yloxy)-4-[2-(4-propan-2-yloxyphenyl)propan-2-yl]benzene (PubChem CID 70794455) has the molecular formula C24H34O2 and a molecular weight of 354.53 g/mol. Its IUPAC name is 1-(3-methylpentan-3-yloxy)-4-[2-(4-propan-2-yloxyphenyl)propan-2-yl]benzene.

Molecular Properties

Compound Name1-(3-methylpentan-3-yloxy)-4-[2-(4-propan-2-yloxyphenyl)propan-2-yl]benzene
PubChem CID70794455
Molecular FormulaC24H34O2
Molecular Weight354.53 g/mol
Exact Mass354.26
IUPAC Name1-(3-methylpentan-3-yloxy)-4-[2-(4-propan-2-yloxyphenyl)propan-2-yl]benzene
SMILESCCC(C)(CC)Oc1ccc(C(C)(C)c2ccc(OC(C)C)cc2)cc1
InChIInChI=1S/C24H34O2/c1-8-24(7,9-2)26-22-16-12-20(13-17-22)23(5,6)19-10-14-21(15-11-19)25-18(3)4/h10-18H,8-9H2,1-7H3
InChIKeyUNLCRDFLJLMNDH-UHFFFAOYSA-N
XLogP6.76
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.53
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-[2-[4-(3-methylpentan-3-yloxy)phenyl]propan-2-yl]phenoxy]benzenethiol
CID 71047983
[4-[2-[4-(3-methylpentan-3-yloxy)phenyl]propan-2-yl]phenyl] formate
CID 88909579
4-[2-(4-propan-2-yloxyphenyl)propan-2-yl]phenol
CID 21466220
1-(1,1-dibromopropoxy)-4-[2-[4-(1,1-dibromopropoxy)phenyl]propan-2-yl]benzene
CID 67068398
1-[2-(4-dimethylphosphoryloxyphenyl)propan-2-yl]-4-propan-2-yloxybenzene;ethane
CID 168985818
[4-[2-(4-propan-2-yloxyphenyl)propan-2-yl]phenyl] 2,2-dimethylpropanoate
CID 118043540
2-(4-propan-2-yloxyphenyl)propane-1,2-diamine
CID 116855579
3-ethyl-3-[[4-[2-(4-propan-2-yloxyphenyl)propan-2-yl]phenoxy]methyl]oxetane
CID 59687541
propan-2-yl 2-(2,2-dimethylbutanoyloxy)-5-[2-[4-(3-methylpentan-3-yloxy)phenyl]propan-2-yl]benzoate
CID 89075645
N'-[2-methyl-2-(4-propan-2-yloxyphenyl)propyl]methanediamine
CID 115226389
1-(4-bromo-2-methylpentan-2-yl)-4-propan-2-yloxybenzene
CID 64715385
4-(4-propan-2-yloxyphenyl)heptan-4-ol
CID 114866121

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylpentan-3-yloxy)-4-[2-(4-propan-2-yloxyphenyl)propan-2-yl]benzene?
The IUPAC name of 1-(3-methylpentan-3-yloxy)-4-[2-(4-propan-2-yloxyphenyl)propan-2-yl]benzene (CID 70794455) is 1-(3-methylpentan-3-yloxy)-4-[2-(4-propan-2-yloxyphenyl)propan-2-yl]benzene.
What is the SMILES notation for 1-(3-methylpentan-3-yloxy)-4-[2-(4-propan-2-yloxyphenyl)propan-2-yl]benzene?
The canonical SMILES for 1-(3-methylpentan-3-yloxy)-4-[2-(4-propan-2-yloxyphenyl)propan-2-yl]benzene is CCC(C)(CC)Oc1ccc(C(C)(C)c2ccc(OC(C)C)cc2)cc1.
What is the InChIKey of 1-(3-methylpentan-3-yloxy)-4-[2-(4-propan-2-yloxyphenyl)propan-2-yl]benzene?
The InChIKey is UNLCRDFLJLMNDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34O2/c1-8-24(7,9-2)26-22-16-12-20(13-17-22)23(5,6)19-10-14-21(15-11-19)25-18(3)4/h10-18H,8-9H2,1-7H3.
What are the key properties of 1-(3-methylpentan-3-yloxy)-4-[2-(4-propan-2-yloxyphenyl)propan-2-yl]benzene?
1-(3-methylpentan-3-yloxy)-4-[2-(4-propan-2-yloxyphenyl)propan-2-yl]benzene has a molecular weight of 354.53 g/mol, XLogP of 6.76, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylpentan-3-yloxy)-4-[2-(4-propan-2-yloxyphenyl)propan-2-yl]benzene is sourced from PubChem (CID 70794455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).