1-(2-cyclopropylheptyl)-4-phenylbenzene

C22H28 — CID 57023139

IUPAC1-(2-cyclopropylheptyl)-4-phenylbenzene
SMILESCCCCCC(Cc1ccc(-c2ccccc2)cc1)C1CC1
InChIInChI=1S/C22H28/c1-2-3-5-10-22(21-15-16-21)17-18-11-13-20(14-12-18)19-8-6-4-7-9-19/h4,6-9,11-14,21-22H,2-3,5,10,15-17H2,1H3
InChIKeyHBSKGYATSMOEEB-UHFFFAOYSA-N
MW292.47 g/mol
LogP6.50
Rot. Bonds8

About 1-(2-cyclopropylheptyl)-4-phenylbenzene

1-(2-cyclopropylheptyl)-4-phenylbenzene (PubChem CID 57023139) has the molecular formula C22H28 and a molecular weight of 292.47 g/mol. Its IUPAC name is 1-(2-cyclopropylheptyl)-4-phenylbenzene.

Molecular Properties

Compound Name1-(2-cyclopropylheptyl)-4-phenylbenzene
PubChem CID57023139
Molecular FormulaC22H28
Molecular Weight292.47 g/mol
Exact Mass292.22
IUPAC Name1-(2-cyclopropylheptyl)-4-phenylbenzene
SMILESCCCCCC(Cc1ccc(-c2ccccc2)cc1)C1CC1
InChIInChI=1S/C22H28/c1-2-3-5-10-22(21-15-16-21)17-18-11-13-20(14-12-18)19-8-6-4-7-9-19/h4,6-9,11-14,21-22H,2-3,5,10,15-17H2,1H3
InChIKeyHBSKGYATSMOEEB-UHFFFAOYSA-N
XLogP6.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.47
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2-cyclopropylheptyl)pyridine
CID 57314652
2-(2-cyclopentyloctyl)pyridine
CID 57318579
1,1'-biphenyl;hexadecane
CID 173308514
1-pentadecyl-4-phenylbenzene
CID 57166115
4-[2-fluoro-4-(4-methylcyclohexyl)decyl]phenol
CID 70485915
1-(2-ethylpentyl)-4-phenylbenzene
CID 90914165
2-benzyltetradecylbenzene
CID 22920205
1-butyl-4-phenylbenzene;ethane
CID 143743409
1,3,5-tris(4-phenylphenyl)-2,4,6-tris(4-tetradecylphenyl)benzene
CID 132609480
2-methylheptylbenzene;2-methyloctylbenzene
CID 174049605
ethane;2-methylheptylbenzene
CID 142204161
(2S,5S)-1-phenylpentadecane-2,5-diol
CID 98091747

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropylheptyl)-4-phenylbenzene?
The IUPAC name of 1-(2-cyclopropylheptyl)-4-phenylbenzene (CID 57023139) is 1-(2-cyclopropylheptyl)-4-phenylbenzene.
What is the SMILES notation for 1-(2-cyclopropylheptyl)-4-phenylbenzene?
The canonical SMILES for 1-(2-cyclopropylheptyl)-4-phenylbenzene is CCCCCC(Cc1ccc(-c2ccccc2)cc1)C1CC1.
What is the InChIKey of 1-(2-cyclopropylheptyl)-4-phenylbenzene?
The InChIKey is HBSKGYATSMOEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28/c1-2-3-5-10-22(21-15-16-21)17-18-11-13-20(14-12-18)19-8-6-4-7-9-19/h4,6-9,11-14,21-22H,2-3,5,10,15-17H2,1H3.
What are the key properties of 1-(2-cyclopropylheptyl)-4-phenylbenzene?
1-(2-cyclopropylheptyl)-4-phenylbenzene has a molecular weight of 292.47 g/mol, XLogP of 6.50, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropylheptyl)-4-phenylbenzene is sourced from PubChem (CID 57023139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).