1-heptyl-4-(4-propan-2-ylphenyl)benzene

C22H30 — CID 58842076

IUPAC1-heptyl-4-(4-propan-2-ylphenyl)benzene
SMILESCCCCCCCc1ccc(-c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C22H30/c1-4-5-6-7-8-9-19-10-12-21(13-11-19)22-16-14-20(15-17-22)18(2)3/h10-18H,4-9H2,1-3H3
InChIKeyHIYZQGWTLCXFRU-UHFFFAOYSA-N
MW294.48 g/mol
LogP6.99
Rot. Bonds8

About 1-heptyl-4-(4-propan-2-ylphenyl)benzene

1-heptyl-4-(4-propan-2-ylphenyl)benzene (PubChem CID 58842076) has the molecular formula C22H30 and a molecular weight of 294.48 g/mol. Its IUPAC name is 1-heptyl-4-(4-propan-2-ylphenyl)benzene.

Molecular Properties

Compound Name1-heptyl-4-(4-propan-2-ylphenyl)benzene
PubChem CID58842076
Molecular FormulaC22H30
Molecular Weight294.48 g/mol
Exact Mass294.23
IUPAC Name1-heptyl-4-(4-propan-2-ylphenyl)benzene
SMILESCCCCCCCc1ccc(-c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C22H30/c1-4-5-6-7-8-9-19-10-12-21(13-11-19)22-16-14-20(15-17-22)18(2)3/h10-18H,4-9H2,1-3H3
InChIKeyHIYZQGWTLCXFRU-UHFFFAOYSA-N
XLogP6.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.48
LogP ≤ 56.99
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

1-butyl-4-propan-2-ylbenzene;hexane
CID 142937575
1-octyl-4-(4-octylphenyl)benzene
CID 22766415
1-nonyl-4-(4-propan-2-ylphenyl)iodanuidylbenzene
CID 151164547
cumene;1-hexyl-4-propan-2-ylbenzene;methane;propane
CID 157275582
1-butyl-4-propan-2-ylbenzene;1,4-di(propan-2-yl)benzene;methane
CID 176687578
1-[4-(4-pentylphenyl)phenyl]ethanol
CID 14297725
1-butyl-4-propan-2-ylbenzene;ethane;4-(4-hydroxyphenyl)phenol
CID 158673942
2-(4-octylphenyl)-4-propan-2-ylaniline
CID 176881705
1-[4-(4-hexylphenyl)phenyl]propan-1-ol
CID 19979106
1-(4-octylphenyl)-5-propan-2-ylazulene
CID 19815733
1-(diethoxymethyl)-4-(4-heptylphenyl)benzene
CID 146004754
(1S)-1-(4-hexylphenyl)ethanamine
CID 25324494

Frequently Asked Questions

What is the IUPAC name of 1-heptyl-4-(4-propan-2-ylphenyl)benzene?
The IUPAC name of 1-heptyl-4-(4-propan-2-ylphenyl)benzene (CID 58842076) is 1-heptyl-4-(4-propan-2-ylphenyl)benzene.
What is the SMILES notation for 1-heptyl-4-(4-propan-2-ylphenyl)benzene?
The canonical SMILES for 1-heptyl-4-(4-propan-2-ylphenyl)benzene is CCCCCCCc1ccc(-c2ccc(C(C)C)cc2)cc1.
What is the InChIKey of 1-heptyl-4-(4-propan-2-ylphenyl)benzene?
The InChIKey is HIYZQGWTLCXFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30/c1-4-5-6-7-8-9-19-10-12-21(13-11-19)22-16-14-20(15-17-22)18(2)3/h10-18H,4-9H2,1-3H3.
What are the key properties of 1-heptyl-4-(4-propan-2-ylphenyl)benzene?
1-heptyl-4-(4-propan-2-ylphenyl)benzene has a molecular weight of 294.48 g/mol, XLogP of 6.99, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-heptyl-4-(4-propan-2-ylphenyl)benzene is sourced from PubChem (CID 58842076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).