1-cyclopropyl-4-(4-cyclopropylphenyl)iodanuidylbenzene

C18H18I- — CID 59545104

IUPAC1-cyclopropyl-4-(4-cyclopropylphenyl)iodanuidylbenzene
SMILESc1cc(C2CC2)ccc1[I-]c1ccc(C2CC2)cc1
InChIInChI=1S/C18H18I/c1-2-13(1)15-5-9-17(10-6-15)19-18-11-7-16(8-12-18)14-3-4-14/h5-14H,1-4H2/q-1
InChIKeyOQEHVPOZFMVSFQ-UHFFFAOYSA-N
MW361.25 g/mol
LogP1.57
Rot. Bonds4

About 1-cyclopropyl-4-(4-cyclopropylphenyl)iodanuidylbenzene

1-cyclopropyl-4-(4-cyclopropylphenyl)iodanuidylbenzene (PubChem CID 59545104) has the molecular formula C18H18I- and a molecular weight of 361.25 g/mol. Its IUPAC name is 1-cyclopropyl-4-(4-cyclopropylphenyl)iodanuidylbenzene.

Molecular Properties

Compound Name1-cyclopropyl-4-(4-cyclopropylphenyl)iodanuidylbenzene
PubChem CID59545104
Molecular FormulaC18H18I-
Molecular Weight361.25 g/mol
Exact Mass361.05
IUPAC Name1-cyclopropyl-4-(4-cyclopropylphenyl)iodanuidylbenzene
SMILESc1cc(C2CC2)ccc1[I-]c1ccc(C2CC2)cc1
InChIInChI=1S/C18H18I/c1-2-13(1)15-5-9-17(10-6-15)19-18-11-7-16(8-12-18)14-3-4-14/h5-14H,1-4H2/q-1
InChIKeyOQEHVPOZFMVSFQ-UHFFFAOYSA-N
XLogP1.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.25
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

nonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-1(32),6(46),7,9(45),10(44),11,13(43),14(42),15,17(41),22,24,26,28,30,33,35,37-octadecaene
CID 135033819
1-fluoro-4-[4-(4-fluorophenyl)cyclohexyl]benzene
CID 122631633
benzene;cyclopropylbenzene
CID 144638417
1-cyclopropyl-4-methylbenzene;ethane;methane
CID 164862835
1-cyclopropyl-4-methylbenzene;methanol
CID 143290478
1-methyl-4-[4-[4-(4-methylphenyl)cyclohexyl]phenyl]benzene
CID 59265320
1,3,5-tricyclopropylbenzene
CID 13056331
1-fluoro-4-(4-fluorocyclohexyl)benzene
CID 23539867
5-(4-cyclopropylphenyl)cyclohexane-1,3-dione
CID 81339773
S-(4-cyclopropylphenyl)thiohydroxylamine;methane
CID 142343490
1-bromo-4-cyclopropylbenzene;N-methylmethanamine;hydrochloride
CID 66919211
1-cyclopropyl-4-ethylbenzene;ethane;methane
CID 176955448

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-(4-cyclopropylphenyl)iodanuidylbenzene?
The IUPAC name of 1-cyclopropyl-4-(4-cyclopropylphenyl)iodanuidylbenzene (CID 59545104) is 1-cyclopropyl-4-(4-cyclopropylphenyl)iodanuidylbenzene.
What is the SMILES notation for 1-cyclopropyl-4-(4-cyclopropylphenyl)iodanuidylbenzene?
The canonical SMILES for 1-cyclopropyl-4-(4-cyclopropylphenyl)iodanuidylbenzene is c1cc(C2CC2)ccc1[I-]c1ccc(C2CC2)cc1.
What is the InChIKey of 1-cyclopropyl-4-(4-cyclopropylphenyl)iodanuidylbenzene?
The InChIKey is OQEHVPOZFMVSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18I/c1-2-13(1)15-5-9-17(10-6-15)19-18-11-7-16(8-12-18)14-3-4-14/h5-14H,1-4H2/q-1.
What are the key properties of 1-cyclopropyl-4-(4-cyclopropylphenyl)iodanuidylbenzene?
1-cyclopropyl-4-(4-cyclopropylphenyl)iodanuidylbenzene has a molecular weight of 361.25 g/mol, XLogP of 1.57, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-(4-cyclopropylphenyl)iodanuidylbenzene is sourced from PubChem (CID 59545104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).