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

1-tert-butyl-4-methylbenzene
CID 163486601
tetrakis(1-tert-butyl-4-methylbenzene);ethane
CID 163240916
1-N,4-N-bis(4-tert-butylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine
CID 134368456
1-tert-butyl-4-methylbenzene;dibromozinc
CID 174651577
N-(4-tert-butylphenyl)-N-[4-(4-tert-butylphenyl)phenyl]-4-methylaniline
CID 134425789
1-tert-butyl-4-methylbenzene;1,4-ditert-butyl-2,3,5,6-tetramethylbenzene;methane
CID 159929613
1-N,3-N,5-N-tris(4-tert-butylphenyl)-1-N,3-N,5-N-tris(4-methylphenyl)benzene-1,3,5-triamine
CID 22900171
N,N-bis[2-(4-tert-butylphenyl)propan-2-yl]-4-methylaniline
CID 126747851
2-(4-tert-butylphenyl)adamantane
CID 13047727
4-N-tert-butyl-1-N-(4-tert-butylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine
CID 134426365
benzenethiol;1-tert-butyl-4-methylbenzene
CID 158168635
[4-(4-tert-butylbenzoyl)phenyl]-(4-methylphenyl)methanone
CID 145339056

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).