1-iodo-4-(1-phenylheptyl)benzene

C19H23I — CID 57089203

IUPAC1-iodo-4-(1-phenylheptyl)benzene
SMILESCCCCCCC(c1ccccc1)c1ccc(I)cc1
InChIInChI=1S/C19H23I/c1-2-3-4-8-11-19(16-9-6-5-7-10-16)17-12-14-18(20)15-13-17/h5-7,9-10,12-15,19H,2-4,8,11H2,1H3
InChIKeyWCKZQZIPGLQOAA-UHFFFAOYSA-N
MW378.30 g/mol
LogP6.39
Rot. Bonds7

About 1-iodo-4-(1-phenylheptyl)benzene

1-iodo-4-(1-phenylheptyl)benzene (PubChem CID 57089203) has the molecular formula C19H23I and a molecular weight of 378.30 g/mol. Its IUPAC name is 1-iodo-4-(1-phenylheptyl)benzene.

Molecular Properties

Compound Name1-iodo-4-(1-phenylheptyl)benzene
PubChem CID57089203
Molecular FormulaC19H23I
Molecular Weight378.30 g/mol
Exact Mass378.08
IUPAC Name1-iodo-4-(1-phenylheptyl)benzene
SMILESCCCCCCC(c1ccccc1)c1ccc(I)cc1
InChIInChI=1S/C19H23I/c1-2-3-4-8-11-19(16-9-6-5-7-10-16)17-12-14-18(20)15-13-17/h5-7,9-10,12-15,19H,2-4,8,11H2,1H3
InChIKeyWCKZQZIPGLQOAA-UHFFFAOYSA-N
XLogP6.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.30
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-iodo-4-(1-phenylheptyl)benzene tetrafluoroborate
CID 174509361
N-ethyl-N-methylethanamine;1-phenylheptylbenzene
CID 18402602
1-(4-iodophenyl)heptan-1-amine
CID 115833109
icosan-10-ylbenzene
CID 54351357
hentriacontan-13-ylbenzene
CID 91306613
4-[1-[4-[1-[4-[1-(4-aminophenyl)decyl]phenyl]pentyl]phenyl]decyl]aniline
CID 22919999
1-hexadecyl-4-[1-(4-hexadecylphenyl)hexadecyl]benzene
CID 21436596
4-[1-[4-[1-[4-[1-(4-aminophenyl)pentyl]phenyl]decyl]phenyl]pentyl]aniline
CID 22920190
1-(4-iodophenyl)-N-methyldecan-1-amine
CID 115831490
2-(1-phenylnonyl)phenol
CID 67177643
(1R)-1-phenyloctan-1-ol
CID 12794259
4-[1-(3,4-dimethylphenyl)decyl]-1,2-dimethylbenzene
CID 23336050

Frequently Asked Questions

What is the IUPAC name of 1-iodo-4-(1-phenylheptyl)benzene?
The IUPAC name of 1-iodo-4-(1-phenylheptyl)benzene (CID 57089203) is 1-iodo-4-(1-phenylheptyl)benzene.
What is the SMILES notation for 1-iodo-4-(1-phenylheptyl)benzene?
The canonical SMILES for 1-iodo-4-(1-phenylheptyl)benzene is CCCCCCC(c1ccccc1)c1ccc(I)cc1.
What is the InChIKey of 1-iodo-4-(1-phenylheptyl)benzene?
The InChIKey is WCKZQZIPGLQOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23I/c1-2-3-4-8-11-19(16-9-6-5-7-10-16)17-12-14-18(20)15-13-17/h5-7,9-10,12-15,19H,2-4,8,11H2,1H3.
What are the key properties of 1-iodo-4-(1-phenylheptyl)benzene?
1-iodo-4-(1-phenylheptyl)benzene has a molecular weight of 378.30 g/mol, XLogP of 6.39, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-4-(1-phenylheptyl)benzene is sourced from PubChem (CID 57089203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).