1-ethyl-4-[(4-phenyliodanuidylphenoxy)methyl]benzene

C21H20IO- — CID 134838310

IUPAC1-ethyl-4-[(4-phenyliodanuidylphenoxy)methyl]benzene
SMILESCCc1ccc(COc2ccc([I-]c3ccccc3)cc2)cc1
InChIInChI=1S/C21H20IO/c1-2-17-8-10-18(11-9-17)16-23-21-14-12-20(13-15-21)22-19-6-4-3-5-7-19/h3-15H,2,16H2,1H3/q-1
InChIKeyKSPHNXQWQQAPAX-UHFFFAOYSA-N
MW415.29 g/mol
LogP1.96
Rot. Bonds6

About 1-ethyl-4-[(4-phenyliodanuidylphenoxy)methyl]benzene

1-ethyl-4-[(4-phenyliodanuidylphenoxy)methyl]benzene (PubChem CID 134838310) has the molecular formula C21H20IO- and a molecular weight of 415.29 g/mol. Its IUPAC name is 1-ethyl-4-[(4-phenyliodanuidylphenoxy)methyl]benzene.

Molecular Properties

Compound Name1-ethyl-4-[(4-phenyliodanuidylphenoxy)methyl]benzene
PubChem CID134838310
Molecular FormulaC21H20IO-
Molecular Weight415.29 g/mol
Exact Mass415.06
IUPAC Name1-ethyl-4-[(4-phenyliodanuidylphenoxy)methyl]benzene
SMILESCCc1ccc(COc2ccc([I-]c3ccccc3)cc2)cc1
InChIInChI=1S/C21H20IO/c1-2-17-8-10-18(11-9-17)16-23-21-14-12-20(13-15-21)22-19-6-4-3-5-7-19/h3-15H,2,16H2,1H3/q-1
InChIKeyKSPHNXQWQQAPAX-UHFFFAOYSA-N
XLogP1.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.29
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-4-(4-ethylphenyl)iodanuidylbenzene
CID 20802149
4-[(4-ethylphenoxy)methyl]benzoic acid
CID 585022
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
1-ethyl-4-[[4-(trifluoromethoxy)phenyl]methoxy]benzene
CID 64765106
1-ethyl-4-[[4-(propan-2-yloxymethyl)phenoxy]methyl]benzene
CID 142493435
1-ethyl-4-[(4-propan-2-ylphenyl)methoxy]benzene
CID 59709478
2-[4-[(4-ethylphenyl)methoxy]phenyl]ethanol
CID 103844538
1-(benzylperoxymethyl)-4-[[4-[(4-phenylmethoxyphenyl)methoxy]phenyl]methoxy]benzene
CID 156694250
ethene;1-ethoxy-4-phenylmethoxybenzene
CID 174705965
1-phenylmethoxy-4-propoxybenzene
CID 10728874
3-(4-ethylphenyl)-3-(4-phenylmethoxyphenyl)cyclobutan-1-one
CID 58095577
1-ethyl-4-[(4-pentylphenyl)methoxy]benzene
CID 142992218

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[(4-phenyliodanuidylphenoxy)methyl]benzene?
The IUPAC name of 1-ethyl-4-[(4-phenyliodanuidylphenoxy)methyl]benzene (CID 134838310) is 1-ethyl-4-[(4-phenyliodanuidylphenoxy)methyl]benzene.
What is the SMILES notation for 1-ethyl-4-[(4-phenyliodanuidylphenoxy)methyl]benzene?
The canonical SMILES for 1-ethyl-4-[(4-phenyliodanuidylphenoxy)methyl]benzene is CCc1ccc(COc2ccc([I-]c3ccccc3)cc2)cc1.
What is the InChIKey of 1-ethyl-4-[(4-phenyliodanuidylphenoxy)methyl]benzene?
The InChIKey is KSPHNXQWQQAPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20IO/c1-2-17-8-10-18(11-9-17)16-23-21-14-12-20(13-15-21)22-19-6-4-3-5-7-19/h3-15H,2,16H2,1H3/q-1.
What are the key properties of 1-ethyl-4-[(4-phenyliodanuidylphenoxy)methyl]benzene?
1-ethyl-4-[(4-phenyliodanuidylphenoxy)methyl]benzene has a molecular weight of 415.29 g/mol, XLogP of 1.96, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[(4-phenyliodanuidylphenoxy)methyl]benzene is sourced from PubChem (CID 134838310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).