1-[2,3-bis(4-methylphenyl)cyclopropyl]-4-tert-butylbenzene

C27H30 — CID 123709825

IUPAC1-[2,3-bis(4-methylphenyl)cyclopropyl]-4-tert-butylbenzene
SMILESCc1ccc(C2C(c3ccc(C)cc3)C2c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C27H30/c1-18-6-10-20(11-7-18)24-25(21-12-8-19(2)9-13-21)26(24)22-14-16-23(17-15-22)27(3,4)5/h6-17,24-26H,1-5H3
InChIKeyFNSFGYQCDXYKLX-UHFFFAOYSA-N
MW354.54 g/mol
LogP7.27
Rot. Bonds3

About 1-[2,3-bis(4-methylphenyl)cyclopropyl]-4-tert-butylbenzene

1-[2,3-bis(4-methylphenyl)cyclopropyl]-4-tert-butylbenzene (PubChem CID 123709825) has the molecular formula C27H30 and a molecular weight of 354.54 g/mol. Its IUPAC name is 1-[2,3-bis(4-methylphenyl)cyclopropyl]-4-tert-butylbenzene.

Molecular Properties

Compound Name1-[2,3-bis(4-methylphenyl)cyclopropyl]-4-tert-butylbenzene
PubChem CID123709825
Molecular FormulaC27H30
Molecular Weight354.54 g/mol
Exact Mass354.23
IUPAC Name1-[2,3-bis(4-methylphenyl)cyclopropyl]-4-tert-butylbenzene
SMILESCc1ccc(C2C(c3ccc(C)cc3)C2c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C27H30/c1-18-6-10-20(11-7-18)24-25(21-12-8-19(2)9-13-21)26(24)22-14-16-23(17-15-22)27(3,4)5/h6-17,24-26H,1-5H3
InChIKeyFNSFGYQCDXYKLX-UHFFFAOYSA-N
XLogP7.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.54
LogP ≤ 57.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-tert-Butyltoluene
CID 7390
p-Terphenyl
CID 7115
4-Methylbiphenyl
CID 12566
Triphenylethylene
CID 6025
1,4-Di-tert-butylbenzene
CID 13895
Dimethyldiphenylmethane
CID 13065
Benzene, 1,2-dimethyl-4-(1-phenylethyl)-
CID 22570
(2.2)Paracyclophane
CID 74210
Triphenylmethane
CID 10614
4-tert-Butylstyrene
CID 15627
1,1-Bis(3,4-dimethylphenyl)ethane
CID 74448
Abietatriene
CID 6432211

Frequently Asked Questions

What is the IUPAC name of 1-[2,3-bis(4-methylphenyl)cyclopropyl]-4-tert-butylbenzene?
The IUPAC name of 1-[2,3-bis(4-methylphenyl)cyclopropyl]-4-tert-butylbenzene (CID 123709825) is 1-[2,3-bis(4-methylphenyl)cyclopropyl]-4-tert-butylbenzene.
What is the SMILES notation for 1-[2,3-bis(4-methylphenyl)cyclopropyl]-4-tert-butylbenzene?
The canonical SMILES for 1-[2,3-bis(4-methylphenyl)cyclopropyl]-4-tert-butylbenzene is Cc1ccc(C2C(c3ccc(C)cc3)C2c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 1-[2,3-bis(4-methylphenyl)cyclopropyl]-4-tert-butylbenzene?
The InChIKey is FNSFGYQCDXYKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30/c1-18-6-10-20(11-7-18)24-25(21-12-8-19(2)9-13-21)26(24)22-14-16-23(17-15-22)27(3,4)5/h6-17,24-26H,1-5H3.
What are the key properties of 1-[2,3-bis(4-methylphenyl)cyclopropyl]-4-tert-butylbenzene?
1-[2,3-bis(4-methylphenyl)cyclopropyl]-4-tert-butylbenzene has a molecular weight of 354.54 g/mol, XLogP of 7.27, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,3-bis(4-methylphenyl)cyclopropyl]-4-tert-butylbenzene is sourced from PubChem (CID 123709825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).