1-ethyl-4-(4-iodophenoxy)benzene

C14H13IO — CID 118066756

IUPAC1-ethyl-4-(4-iodophenoxy)benzene
SMILESCCc1ccc(Oc2ccc(I)cc2)cc1
InChIInChI=1S/C14H13IO/c1-2-11-3-7-13(8-4-11)16-14-9-5-12(15)6-10-14/h3-10H,2H2,1H3
InChIKeyBEDUOEHVWHQLRV-UHFFFAOYSA-N
MW324.16 g/mol
LogP4.65
Rot. Bonds3

About 1-ethyl-4-(4-iodophenoxy)benzene

1-ethyl-4-(4-iodophenoxy)benzene (PubChem CID 118066756) has the molecular formula C14H13IO and a molecular weight of 324.16 g/mol. Its IUPAC name is 1-ethyl-4-(4-iodophenoxy)benzene.

Molecular Properties

Compound Name1-ethyl-4-(4-iodophenoxy)benzene
PubChem CID118066756
Molecular FormulaC14H13IO
Molecular Weight324.16 g/mol
Exact Mass324.00
IUPAC Name1-ethyl-4-(4-iodophenoxy)benzene
SMILESCCc1ccc(Oc2ccc(I)cc2)cc1
InChIInChI=1S/C14H13IO/c1-2-11-3-7-13(8-4-11)16-14-9-5-12(15)6-10-14/h3-10H,2H2,1H3
InChIKeyBEDUOEHVWHQLRV-UHFFFAOYSA-N
XLogP4.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.16
LogP ≤ 54.65
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-iodo-4-[4-[4-(4-iodophenoxy)phenoxy]phenoxy]benzene
CID 22494530
1-(bromomethyl)-4-(4-iodophenoxy)benzene
CID 107087514
1-ethyl-4-[4-(methoxymethyl)phenoxy]benzene
CID 170064957
1,3-bis(4-ethylphenoxy)benzene
CID 145452264
1-ethyl-4-(4-propan-2-ylphenoxy)benzene
CID 66612955
4-(4-ethylphenoxy)-1,2-difluorobenzene
CID 70811665
1-ethyl-4-(3-methylphenoxy)benzene
CID 54200256
4-ethyl-N-[4-[4-[(4-ethylphenyl)sulfonylamino]phenoxy]phenyl]benzenesulfonamide
CID 25047818
1-(4-ethylphenoxy)-3-fluoro-5-methylbenzene
CID 170963415
4-(4-ethylphenoxy)-2-methylaniline
CID 26190351
1-ethyl-4-[4-(trifluoromethylsulfanyl)phenoxy]benzene
CID 22968904
ethane;1-ethyl-4-(4-ethylphenoxy)benzene;9H-fluorene
CID 158173229

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(4-iodophenoxy)benzene?
The IUPAC name of 1-ethyl-4-(4-iodophenoxy)benzene (CID 118066756) is 1-ethyl-4-(4-iodophenoxy)benzene.
What is the SMILES notation for 1-ethyl-4-(4-iodophenoxy)benzene?
The canonical SMILES for 1-ethyl-4-(4-iodophenoxy)benzene is CCc1ccc(Oc2ccc(I)cc2)cc1.
What is the InChIKey of 1-ethyl-4-(4-iodophenoxy)benzene?
The InChIKey is BEDUOEHVWHQLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13IO/c1-2-11-3-7-13(8-4-11)16-14-9-5-12(15)6-10-14/h3-10H,2H2,1H3.
What are the key properties of 1-ethyl-4-(4-iodophenoxy)benzene?
1-ethyl-4-(4-iodophenoxy)benzene has a molecular weight of 324.16 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(4-iodophenoxy)benzene is sourced from PubChem (CID 118066756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).