1-(2-iodo-1-pentoxyethyl)-2-methoxybenzene

C14H21IO2 — CID 114773706

IUPAC1-(2-iodo-1-pentoxyethyl)-2-methoxybenzene
SMILESCCCCCOC(CI)c1ccccc1OC
InChIInChI=1S/C14H21IO2/c1-3-4-7-10-17-14(11-15)12-8-5-6-9-13(12)16-2/h5-6,8-9,14H,3-4,7,10-11H2,1-2H3
InChIKeyGYSVNAPHKJSUEX-UHFFFAOYSA-N
MW348.22 g/mol
LogP4.38
Rot. Bonds8

About 1-(2-iodo-1-pentoxyethyl)-2-methoxybenzene

1-(2-iodo-1-pentoxyethyl)-2-methoxybenzene (PubChem CID 114773706) has the molecular formula C14H21IO2 and a molecular weight of 348.22 g/mol. Its IUPAC name is 1-(2-iodo-1-pentoxyethyl)-2-methoxybenzene.

Molecular Properties

Compound Name1-(2-iodo-1-pentoxyethyl)-2-methoxybenzene
PubChem CID114773706
Molecular FormulaC14H21IO2
Molecular Weight348.22 g/mol
Exact Mass348.06
IUPAC Name1-(2-iodo-1-pentoxyethyl)-2-methoxybenzene
SMILESCCCCCOC(CI)c1ccccc1OC
InChIInChI=1S/C14H21IO2/c1-3-4-7-10-17-14(11-15)12-8-5-6-9-13(12)16-2/h5-6,8-9,14H,3-4,7,10-11H2,1-2H3
InChIKeyGYSVNAPHKJSUEX-UHFFFAOYSA-N
XLogP4.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.22
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-iodo-1-octoxyethyl)-2-methoxybenzene
CID 114773562
1-(2-iodo-1-propoxyethyl)-2-methoxybenzene
CID 114772004
N-ethyl-2-heptoxy-2-(2-methoxyphenyl)ethanamine
CID 62109368
1-(1-ethoxypentyl)-2-methoxybenzene
CID 141341766
1-chloro-4-(1-hexoxy-2-iodoethyl)benzene
CID 114773526
1-pentoxypropylbenzene
CID 57033372
1-(1,2-diiodoethyl)-2-methoxybenzene
CID 174309345
1-pentoxybutylbenzene
CID 173061669
1-chloro-2-[2-iodo-1-[3-(2-methoxyethoxy)propoxy]ethyl]benzene
CID 103405085
1-octoxy-2-propan-2-ylbenzene
CID 64765685
1-dodecoxyhexylbenzene
CID 174774790
2-(2-chlorophenyl)-2-hexoxyethanamine
CID 55022815

Frequently Asked Questions

What is the IUPAC name of 1-(2-iodo-1-pentoxyethyl)-2-methoxybenzene?
The IUPAC name of 1-(2-iodo-1-pentoxyethyl)-2-methoxybenzene (CID 114773706) is 1-(2-iodo-1-pentoxyethyl)-2-methoxybenzene.
What is the SMILES notation for 1-(2-iodo-1-pentoxyethyl)-2-methoxybenzene?
The canonical SMILES for 1-(2-iodo-1-pentoxyethyl)-2-methoxybenzene is CCCCCOC(CI)c1ccccc1OC.
What is the InChIKey of 1-(2-iodo-1-pentoxyethyl)-2-methoxybenzene?
The InChIKey is GYSVNAPHKJSUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21IO2/c1-3-4-7-10-17-14(11-15)12-8-5-6-9-13(12)16-2/h5-6,8-9,14H,3-4,7,10-11H2,1-2H3.
What are the key properties of 1-(2-iodo-1-pentoxyethyl)-2-methoxybenzene?
1-(2-iodo-1-pentoxyethyl)-2-methoxybenzene has a molecular weight of 348.22 g/mol, XLogP of 4.38, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-iodo-1-pentoxyethyl)-2-methoxybenzene is sourced from PubChem (CID 114773706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).