1-tert-butyl-3-[2-(4-tert-butylcyclopenta-1,3-dien-1-yl)propan-2-yl]-2-methoxy-5-methylbenzene

C24H36O — CID 68742471

IUPAC1-tert-butyl-3-[2-(4-tert-butylcyclopenta-1,3-dien-1-yl)propan-2-yl]-2-methoxy-5-methylbenzene
SMILESCOc1c(C(C)(C)C)cc(C)cc1C(C)(C)C1=CC=C(C(C)(C)C)C1
InChIInChI=1S/C24H36O/c1-16-13-19(23(5,6)7)21(25-10)20(14-16)24(8,9)18-12-11-17(15-18)22(2,3)4/h11-14H,15H2,1-10H3
InChIKeyOXRHQQDOTUGHHZ-UHFFFAOYSA-N
MW340.55 g/mol
LogP6.88
Rot. Bonds3

About 1-tert-butyl-3-[2-(4-tert-butylcyclopenta-1,3-dien-1-yl)propan-2-yl]-2-methoxy-5-methylbenzene

1-tert-butyl-3-[2-(4-tert-butylcyclopenta-1,3-dien-1-yl)propan-2-yl]-2-methoxy-5-methylbenzene (PubChem CID 68742471) has the molecular formula C24H36O and a molecular weight of 340.55 g/mol. Its IUPAC name is 1-tert-butyl-3-[2-(4-tert-butylcyclopenta-1,3-dien-1-yl)propan-2-yl]-2-methoxy-5-methylbenzene.

Molecular Properties

Compound Name1-tert-butyl-3-[2-(4-tert-butylcyclopenta-1,3-dien-1-yl)propan-2-yl]-2-methoxy-5-methylbenzene
PubChem CID68742471
Molecular FormulaC24H36O
Molecular Weight340.55 g/mol
Exact Mass340.28
IUPAC Name1-tert-butyl-3-[2-(4-tert-butylcyclopenta-1,3-dien-1-yl)propan-2-yl]-2-methoxy-5-methylbenzene
SMILESCOc1c(C(C)(C)C)cc(C)cc1C(C)(C)C1=CC=C(C(C)(C)C)C1
InChIInChI=1S/C24H36O/c1-16-13-19(23(5,6)7)21(25-10)20(14-16)24(8,9)18-12-11-17(15-18)22(2,3)4/h11-14H,15H2,1-10H3
InChIKeyOXRHQQDOTUGHHZ-UHFFFAOYSA-N
XLogP6.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.55
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-tert-butyl-3-[2-(4-tert-butylcyclopenta-1,3-dien-1-yl)propan-2-yl]-2-methoxy-5-methylbenzene with MolForge

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Related Compounds

1-tert-butyl-3-[2-(4-tert-butylcyclopenta-1,3-dien-1-yl)propan-2-yl]-2,5-dimethoxybenzene
CID 68743422
1-[2-(4-tert-butylcyclopenta-1,3-dien-1-yl)propan-2-yl]-2-methoxy-3-phenylbenzene
CID 68742506
2-(3-tert-butyl-2-methoxy-5-methylphenyl)-2-methylpropan-1-ol
CID 82297608
2-(3-tert-butyl-2-methoxy-5-methylphenyl)-1,3-dioxolane
CID 83959269
2-bromo-1-(3-tert-butyl-2-methoxy-5-methylphenyl)ethanone
CID 82490218
1-[(3-tert-butyl-2-methoxy-5-methylphenyl)methyl]cyclopropan-1-ol
CID 117374422
1-(3-tert-butyl-2-methoxy-5-methylphenyl)sulfonylpyrrolidine
CID 110758574
1-tert-butyl-3-isothiocyanato-2-methoxy-5-methylbenzene
CID 82496669
1,3-ditert-butyl-2-dimethylphosphoryloxy-5-methylbenzene
CID 20731092
1-[1-(3-tert-butyl-2-methoxy-5-methylphenyl)cyclopropyl]ethanamine
CID 117408617
1-(3-tert-butyl-2-methoxy-5-methylphenyl)-3-chloropropan-1-one
CID 82267890
2-(3-tert-butyl-2-methoxy-5-methylphenyl)-N-methylethanamine
CID 95452310

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[2-(4-tert-butylcyclopenta-1,3-dien-1-yl)propan-2-yl]-2-methoxy-5-methylbenzene?
The IUPAC name of 1-tert-butyl-3-[2-(4-tert-butylcyclopenta-1,3-dien-1-yl)propan-2-yl]-2-methoxy-5-methylbenzene (CID 68742471) is 1-tert-butyl-3-[2-(4-tert-butylcyclopenta-1,3-dien-1-yl)propan-2-yl]-2-methoxy-5-methylbenzene.
What is the SMILES notation for 1-tert-butyl-3-[2-(4-tert-butylcyclopenta-1,3-dien-1-yl)propan-2-yl]-2-methoxy-5-methylbenzene?
The canonical SMILES for 1-tert-butyl-3-[2-(4-tert-butylcyclopenta-1,3-dien-1-yl)propan-2-yl]-2-methoxy-5-methylbenzene is COc1c(C(C)(C)C)cc(C)cc1C(C)(C)C1=CC=C(C(C)(C)C)C1.
What is the InChIKey of 1-tert-butyl-3-[2-(4-tert-butylcyclopenta-1,3-dien-1-yl)propan-2-yl]-2-methoxy-5-methylbenzene?
The InChIKey is OXRHQQDOTUGHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36O/c1-16-13-19(23(5,6)7)21(25-10)20(14-16)24(8,9)18-12-11-17(15-18)22(2,3)4/h11-14H,15H2,1-10H3.
What are the key properties of 1-tert-butyl-3-[2-(4-tert-butylcyclopenta-1,3-dien-1-yl)propan-2-yl]-2-methoxy-5-methylbenzene?
1-tert-butyl-3-[2-(4-tert-butylcyclopenta-1,3-dien-1-yl)propan-2-yl]-2-methoxy-5-methylbenzene has a molecular weight of 340.55 g/mol, XLogP of 6.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-[2-(4-tert-butylcyclopenta-1,3-dien-1-yl)propan-2-yl]-2-methoxy-5-methylbenzene is sourced from PubChem (CID 68742471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).