1-(2-iodoethoxy)-2-(2-methylpropyl)-4-phenylbenzene

C18H21IO — CID 70328622

IUPAC1-(2-iodoethoxy)-2-(2-methylpropyl)-4-phenylbenzene
SMILESCC(C)Cc1cc(-c2ccccc2)ccc1OCCI
InChIInChI=1S/C18H21IO/c1-14(2)12-17-13-16(15-6-4-3-5-7-15)8-9-18(17)20-11-10-19/h3-9,13-14H,10-12H2,1-2H3
InChIKeyXFNLQPAEPYXNFW-UHFFFAOYSA-N
MW380.27 g/mol
LogP5.37
Rot. Bonds6

About 1-(2-iodoethoxy)-2-(2-methylpropyl)-4-phenylbenzene

1-(2-iodoethoxy)-2-(2-methylpropyl)-4-phenylbenzene (PubChem CID 70328622) has the molecular formula C18H21IO and a molecular weight of 380.27 g/mol. Its IUPAC name is 1-(2-iodoethoxy)-2-(2-methylpropyl)-4-phenylbenzene.

Molecular Properties

Compound Name1-(2-iodoethoxy)-2-(2-methylpropyl)-4-phenylbenzene
PubChem CID70328622
Molecular FormulaC18H21IO
Molecular Weight380.27 g/mol
Exact Mass380.06
IUPAC Name1-(2-iodoethoxy)-2-(2-methylpropyl)-4-phenylbenzene
SMILESCC(C)Cc1cc(-c2ccccc2)ccc1OCCI
InChIInChI=1S/C18H21IO/c1-14(2)12-17-13-16(15-6-4-3-5-7-15)8-9-18(17)20-11-10-19/h3-9,13-14H,10-12H2,1-2H3
InChIKeyXFNLQPAEPYXNFW-UHFFFAOYSA-N
XLogP5.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.27
LogP ≤ 55.37
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

1-(2-methylpropyl)-2-propoxybenzene
CID 54411248
2-[2-[2-(2-hydroxyethoxy)-5-phenylphenyl]sulfanyl-4-phenylphenoxy]ethanol
CID 86027705
2-(2-methylpropoxy)-5-phenylbenzaldehyde
CID 54795057
2-[4-[1-[4-(2-hydroxyethoxy)-3-(2-methylpropyl)phenyl]-9H-fluoren-2-yl]-2-(2-methylpropyl)phenoxy]ethanol
CID 141378164
1-(3-methylbutoxy)-4-phenylbenzene
CID 91725732
4-phenyl-1-prop-2-enoxy-2-prop-2-enylbenzene
CID 155642904
2-butoxy-5-phenylaniline
CID 54853554
1-(3-chloropropoxy)-2-methoxy-4-phenylbenzene
CID 173335600
[2-(2-hydroxyethoxy)-5-(4-phenylphenyl)phenyl]methyl 2-methylprop-2-enoate
CID 134200774
3-(2-ethoxy-5-phenylphenyl)propanoic acid
CID 83969109
2-methyl-1-octoxy-4-phenylbenzene
CID 23393452
1-[5-methyl-2-(3-methylbutoxy)phenyl]propan-2-amine
CID 55200535

Frequently Asked Questions

What is the IUPAC name of 1-(2-iodoethoxy)-2-(2-methylpropyl)-4-phenylbenzene?
The IUPAC name of 1-(2-iodoethoxy)-2-(2-methylpropyl)-4-phenylbenzene (CID 70328622) is 1-(2-iodoethoxy)-2-(2-methylpropyl)-4-phenylbenzene.
What is the SMILES notation for 1-(2-iodoethoxy)-2-(2-methylpropyl)-4-phenylbenzene?
The canonical SMILES for 1-(2-iodoethoxy)-2-(2-methylpropyl)-4-phenylbenzene is CC(C)Cc1cc(-c2ccccc2)ccc1OCCI.
What is the InChIKey of 1-(2-iodoethoxy)-2-(2-methylpropyl)-4-phenylbenzene?
The InChIKey is XFNLQPAEPYXNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21IO/c1-14(2)12-17-13-16(15-6-4-3-5-7-15)8-9-18(17)20-11-10-19/h3-9,13-14H,10-12H2,1-2H3.
What are the key properties of 1-(2-iodoethoxy)-2-(2-methylpropyl)-4-phenylbenzene?
1-(2-iodoethoxy)-2-(2-methylpropyl)-4-phenylbenzene has a molecular weight of 380.27 g/mol, XLogP of 5.37, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-iodoethoxy)-2-(2-methylpropyl)-4-phenylbenzene is sourced from PubChem (CID 70328622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).