2-deuterio-1-iodo-4-(2-methylpropyl)benzene

C10H13I — CID 175696427

IUPAC2-deuterio-1-iodo-4-(2-methylpropyl)benzene
SMILES[2H]c1cc(CC(C)C)ccc1I
InChIInChI=1S/C10H13I/c1-8(2)7-9-3-5-10(11)6-4-9/h3-6,8H,7H2,1-2H3/i5D
InChIKeyYLXHPJSTZKDDLN-UICOGKGYSA-N
MW261.12 g/mol
LogP3.49
Rot. Bonds2

About 2-deuterio-1-iodo-4-(2-methylpropyl)benzene

2-deuterio-1-iodo-4-(2-methylpropyl)benzene (PubChem CID 175696427) has the molecular formula C10H13I and a molecular weight of 261.12 g/mol. Its IUPAC name is 2-deuterio-1-iodo-4-(2-methylpropyl)benzene.

Molecular Properties

Compound Name2-deuterio-1-iodo-4-(2-methylpropyl)benzene
PubChem CID175696427
Molecular FormulaC10H13I
Molecular Weight261.12 g/mol
Exact Mass261.01
IUPAC Name2-deuterio-1-iodo-4-(2-methylpropyl)benzene
SMILES[2H]c1cc(CC(C)C)ccc1I
InChIInChI=1S/C10H13I/c1-8(2)7-9-3-5-10(11)6-4-9/h3-6,8H,7H2,1-2H3/i5D
InChIKeyYLXHPJSTZKDDLN-UICOGKGYSA-N
XLogP3.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.12
LogP ≤ 53.49
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

(4-iodophenyl)-[4-(2-methylpropyl)phenyl]methanone
CID 43338104
ethane;4-(2-methylpropyl)benzenethiol
CID 143751683
ethane;2-methylpropylbenzene
CID 162200929
ethane;methane;1-(2-methylpropyl)-4-propan-2-ylbenzene
CID 144724990
1-deuterio-2-(2-methylpropyl)benzene
CID 18666415
1-(2-methylpropyl)-4-[1-[4-(2-methylpropyl)phenyl]ethyl]benzene
CID 11044622
[4-(2-methylpropyl)phenyl]methylphosphane
CID 69020974
1-[(2S)-1-bromopropan-2-yl]-4-(2-methylpropyl)benzene
CID 11043315
1-[4-(2-methylpropyl)phenyl]-N-[[4-(2-methylpropyl)phenyl]methyl]methanamine
CID 101376934
1-ethyl-4-(2-methylpropyl)benzene;methane;propane
CID 154659572
1-(2-iodopropan-2-yl)-4-(2-methylpropyl)benzene
CID 143199593
1-iodo-3-(2-methylpropyl)benzene
CID 18417600

Frequently Asked Questions

What is the IUPAC name of 2-deuterio-1-iodo-4-(2-methylpropyl)benzene?
The IUPAC name of 2-deuterio-1-iodo-4-(2-methylpropyl)benzene (CID 175696427) is 2-deuterio-1-iodo-4-(2-methylpropyl)benzene.
What is the SMILES notation for 2-deuterio-1-iodo-4-(2-methylpropyl)benzene?
The canonical SMILES for 2-deuterio-1-iodo-4-(2-methylpropyl)benzene is [2H]c1cc(CC(C)C)ccc1I.
What is the InChIKey of 2-deuterio-1-iodo-4-(2-methylpropyl)benzene?
The InChIKey is YLXHPJSTZKDDLN-UICOGKGYSA-N. The full InChI is InChI=1S/C10H13I/c1-8(2)7-9-3-5-10(11)6-4-9/h3-6,8H,7H2,1-2H3/i5D.
What are the key properties of 2-deuterio-1-iodo-4-(2-methylpropyl)benzene?
2-deuterio-1-iodo-4-(2-methylpropyl)benzene has a molecular weight of 261.12 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-deuterio-1-iodo-4-(2-methylpropyl)benzene is sourced from PubChem (CID 175696427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).