1-ethyl-2-[2-methyl-3-(4-propylphenyl)phenyl]cyclohepta-1,3-diene

C25H30 — CID 156827286

IUPAC1-ethyl-2-[2-methyl-3-(4-propylphenyl)phenyl]cyclohepta-1,3-diene
SMILESCCCc1ccc(-c2cccc(C3=C(CC)CCCC=C3)c2C)cc1
InChIInChI=1S/C25H30/c1-4-10-20-15-17-22(18-16-20)23-13-9-14-24(19(23)3)25-12-8-6-7-11-21(25)5-2/h8-9,12-18H,4-7,10-11H2,1-3H3
InChIKeyMCBXGXGWWQAMNO-UHFFFAOYSA-N
MW330.52 g/mol
LogP7.52
Rot. Bonds5

About 1-ethyl-2-[2-methyl-3-(4-propylphenyl)phenyl]cyclohepta-1,3-diene

1-ethyl-2-[2-methyl-3-(4-propylphenyl)phenyl]cyclohepta-1,3-diene (PubChem CID 156827286) has the molecular formula C25H30 and a molecular weight of 330.52 g/mol. Its IUPAC name is 1-ethyl-2-[2-methyl-3-(4-propylphenyl)phenyl]cyclohepta-1,3-diene.

Molecular Properties

Compound Name1-ethyl-2-[2-methyl-3-(4-propylphenyl)phenyl]cyclohepta-1,3-diene
PubChem CID156827286
Molecular FormulaC25H30
Molecular Weight330.52 g/mol
Exact Mass330.23
IUPAC Name1-ethyl-2-[2-methyl-3-(4-propylphenyl)phenyl]cyclohepta-1,3-diene
SMILESCCCc1ccc(-c2cccc(C3=C(CC)CCCC=C3)c2C)cc1
InChIInChI=1S/C25H30/c1-4-10-20-15-17-22(18-16-20)23-13-9-14-24(19(23)3)25-12-8-6-7-11-21(25)5-2/h8-9,12-18H,4-7,10-11H2,1-3H3
InChIKeyMCBXGXGWWQAMNO-UHFFFAOYSA-N
XLogP7.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.52
LogP ≤ 57.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(2-ethylphenyl)-2-methyl-3-(4-propylphenyl)benzene
CID 156827418
1-(4-methylphenyl)-8,9-dihydro-7H-benzo[7]annulene
CID 142467465
1-(2-butylphenyl)-3-(4-butylphenyl)-2-methylbenzene
CID 156826942
1,2-dipropylcyclohepta-1,3-diene
CID 175557137
1-(3-fluorocyclohexyl)-2-(4-propylphenyl)benzene
CID 141212079
1,2-difluoro-3-[4-[2-(4-propylphenyl)ethyl]phenyl]benzene
CID 142739583
2-cyclopentyl-3-methyl-4-(4-propylphenyl)-1H-inden-1-ide;zirconium
CID 151993274
1-methyl-4-(4-propylphenyl)benzene
CID 157416879
1-ethyl-4-[4-(4-propylphenyl)phenyl]benzene
CID 58975771
2-bromo-6-(4-propylphenyl)phenol
CID 162716525
4-(4-propylphenyl)dibenzofuran
CID 156827246
ethane;1-ethyl-4-(4-propylphenyl)benzene
CID 142388235

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[2-methyl-3-(4-propylphenyl)phenyl]cyclohepta-1,3-diene?
The IUPAC name of 1-ethyl-2-[2-methyl-3-(4-propylphenyl)phenyl]cyclohepta-1,3-diene (CID 156827286) is 1-ethyl-2-[2-methyl-3-(4-propylphenyl)phenyl]cyclohepta-1,3-diene.
What is the SMILES notation for 1-ethyl-2-[2-methyl-3-(4-propylphenyl)phenyl]cyclohepta-1,3-diene?
The canonical SMILES for 1-ethyl-2-[2-methyl-3-(4-propylphenyl)phenyl]cyclohepta-1,3-diene is CCCc1ccc(-c2cccc(C3=C(CC)CCCC=C3)c2C)cc1.
What is the InChIKey of 1-ethyl-2-[2-methyl-3-(4-propylphenyl)phenyl]cyclohepta-1,3-diene?
The InChIKey is MCBXGXGWWQAMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30/c1-4-10-20-15-17-22(18-16-20)23-13-9-14-24(19(23)3)25-12-8-6-7-11-21(25)5-2/h8-9,12-18H,4-7,10-11H2,1-3H3.
What are the key properties of 1-ethyl-2-[2-methyl-3-(4-propylphenyl)phenyl]cyclohepta-1,3-diene?
1-ethyl-2-[2-methyl-3-(4-propylphenyl)phenyl]cyclohepta-1,3-diene has a molecular weight of 330.52 g/mol, XLogP of 7.52, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[2-methyl-3-(4-propylphenyl)phenyl]cyclohepta-1,3-diene is sourced from PubChem (CID 156827286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).