1-(1,2-diiodoethyl)-4-(1-methylcyclopentyl)oxybenzene

C14H18I2O — CID 146783563

IUPAC1-(1,2-diiodoethyl)-4-(1-methylcyclopentyl)oxybenzene
SMILESCC1(Oc2ccc(C(I)CI)cc2)CCCC1
InChIInChI=1S/C14H18I2O/c1-14(8-2-3-9-14)17-12-6-4-11(5-7-12)13(16)10-15/h4-7,13H,2-3,8-10H2,1H3
InChIKeyRUDJQPOKKGUMLF-UHFFFAOYSA-N
MW456.11 g/mol
LogP5.31
Rot. Bonds4

About 1-(1,2-diiodoethyl)-4-(1-methylcyclopentyl)oxybenzene

1-(1,2-diiodoethyl)-4-(1-methylcyclopentyl)oxybenzene (PubChem CID 146783563) has the molecular formula C14H18I2O and a molecular weight of 456.11 g/mol. Its IUPAC name is 1-(1,2-diiodoethyl)-4-(1-methylcyclopentyl)oxybenzene.

Molecular Properties

Compound Name1-(1,2-diiodoethyl)-4-(1-methylcyclopentyl)oxybenzene
PubChem CID146783563
Molecular FormulaC14H18I2O
Molecular Weight456.11 g/mol
Exact Mass455.94
IUPAC Name1-(1,2-diiodoethyl)-4-(1-methylcyclopentyl)oxybenzene
SMILESCC1(Oc2ccc(C(I)CI)cc2)CCCC1
InChIInChI=1S/C14H18I2O/c1-14(8-2-3-9-14)17-12-6-4-11(5-7-12)13(16)10-15/h4-7,13H,2-3,8-10H2,1H3
InChIKeyRUDJQPOKKGUMLF-UHFFFAOYSA-N
XLogP5.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.11
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-2-[4-(1-methylcyclopentyl)oxyphenyl]pentan-1-amine
CID 145217090
1-methyl-1-phenoxycycloheptane
CID 101026780
1-ethenyl-4-(1-methylcyclopentyl)oxybenzene
CID 19350374
2-[4-(1-methylcyclopentyl)oxyphenyl]acetic acid
CID 117045788
4-(1-methylcyclopentyl)oxybenzoic acid
CID 117045761
1-[4-(1-methylcyclohexyl)oxyphenyl]-1,4-dithian-1-ium
CID 140828199
4-butan-2-yl-2-(1-methylcyclopentyl)oxy-1-(trifluoromethoxy)benzene
CID 170539185
bis(1-butan-2-yl-4-(1-methylcyclohexyl)oxybenzene);tris(1-methoxy-1-methylcyclohexane);2-methoxy-2-methylpropane;1-(2-methylbutan-2-yl)-4-(1-methylcyclohexyl)oxybenzene;1-(2-methylbutan-2-yl)-4-[(2-methylpropan-2-yl)oxy]benzene
CID 159170843
3-(1-methylcyclohexyl)oxyaniline
CID 117045745
2-ethyl-4-(1-methylcyclopropyl)oxyaniline
CID 130414128
4-(3-methylpiperidin-3-yl)oxybenzonitrile
CID 117052663
5-(1-methylcyclopentyl)oxy-2,3-dihydro-1H-indole
CID 115074494

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-diiodoethyl)-4-(1-methylcyclopentyl)oxybenzene?
The IUPAC name of 1-(1,2-diiodoethyl)-4-(1-methylcyclopentyl)oxybenzene (CID 146783563) is 1-(1,2-diiodoethyl)-4-(1-methylcyclopentyl)oxybenzene.
What is the SMILES notation for 1-(1,2-diiodoethyl)-4-(1-methylcyclopentyl)oxybenzene?
The canonical SMILES for 1-(1,2-diiodoethyl)-4-(1-methylcyclopentyl)oxybenzene is CC1(Oc2ccc(C(I)CI)cc2)CCCC1.
What is the InChIKey of 1-(1,2-diiodoethyl)-4-(1-methylcyclopentyl)oxybenzene?
The InChIKey is RUDJQPOKKGUMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18I2O/c1-14(8-2-3-9-14)17-12-6-4-11(5-7-12)13(16)10-15/h4-7,13H,2-3,8-10H2,1H3.
What are the key properties of 1-(1,2-diiodoethyl)-4-(1-methylcyclopentyl)oxybenzene?
1-(1,2-diiodoethyl)-4-(1-methylcyclopentyl)oxybenzene has a molecular weight of 456.11 g/mol, XLogP of 5.31, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-diiodoethyl)-4-(1-methylcyclopentyl)oxybenzene is sourced from PubChem (CID 146783563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).