1-iodo-3-(4-propoxyphenyl)benzene

C15H15IO — CID 143253633

IUPAC1-iodo-3-(4-propoxyphenyl)benzene
SMILESCCCOc1ccc(-c2cccc(I)c2)cc1
InChIInChI=1S/C15H15IO/c1-2-10-17-15-8-6-12(7-9-15)13-4-3-5-14(16)11-13/h3-9,11H,2,10H2,1H3
InChIKeyASZGGBUWOLUZCC-UHFFFAOYSA-N
MW338.19 g/mol
LogP4.75
Rot. Bonds4

About 1-iodo-3-(4-propoxyphenyl)benzene

1-iodo-3-(4-propoxyphenyl)benzene (PubChem CID 143253633) has the molecular formula C15H15IO and a molecular weight of 338.19 g/mol. Its IUPAC name is 1-iodo-3-(4-propoxyphenyl)benzene.

Molecular Properties

Compound Name1-iodo-3-(4-propoxyphenyl)benzene
PubChem CID143253633
Molecular FormulaC15H15IO
Molecular Weight338.19 g/mol
Exact Mass338.02
IUPAC Name1-iodo-3-(4-propoxyphenyl)benzene
SMILESCCCOc1ccc(-c2cccc(I)c2)cc1
InChIInChI=1S/C15H15IO/c1-2-10-17-15-8-6-12(7-9-15)13-4-3-5-14(16)11-13/h3-9,11H,2,10H2,1H3
InChIKeyASZGGBUWOLUZCC-UHFFFAOYSA-N
XLogP4.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.19
LogP ≤ 54.75
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

N-methyl-3-(4-propoxyphenyl)aniline
CID 106505758
1-pentoxy-4-phenylbenzene
CID 7021155
(4-propoxyphenyl)-[4-[4-[4-[(4-propoxyphenyl)diazenyl]phenyl]phenyl]phenyl]diazene
CID 139387262
3-phenyl-7-(4-propoxyphenyl)imidazo[1,2-a]pyridine
CID 56593407
1-octoxy-4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 10700210
1-(3-chloropropoxy)-3-(4-ethoxyphenyl)benzene
CID 39396726
13,26-diphenyl-5,18-bis(4-propoxyphenyl)heptacyclo[14.10.0.03,14.04,12.06,11.017,25.019,24]hexacosa-1,3(14),4,6,8,10,12,15,17,19,21,23,25-tridecaene
CID 102042372
1-pentan-3-yl-4-(4-propoxyphenyl)benzene
CID 126760661
1-heptoxy-4-(4-heptoxyphenyl)benzene
CID 53405189
1-hexadecoxy-4-(4-hexadecoxyphenyl)benzene
CID 100970451
4-(3-iodophenyl)benzenethiol
CID 86021802
6-(4-propoxyphenyl)-1H-pyridin-2-one
CID 103695252

Frequently Asked Questions

What is the IUPAC name of 1-iodo-3-(4-propoxyphenyl)benzene?
The IUPAC name of 1-iodo-3-(4-propoxyphenyl)benzene (CID 143253633) is 1-iodo-3-(4-propoxyphenyl)benzene.
What is the SMILES notation for 1-iodo-3-(4-propoxyphenyl)benzene?
The canonical SMILES for 1-iodo-3-(4-propoxyphenyl)benzene is CCCOc1ccc(-c2cccc(I)c2)cc1.
What is the InChIKey of 1-iodo-3-(4-propoxyphenyl)benzene?
The InChIKey is ASZGGBUWOLUZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15IO/c1-2-10-17-15-8-6-12(7-9-15)13-4-3-5-14(16)11-13/h3-9,11H,2,10H2,1H3.
What are the key properties of 1-iodo-3-(4-propoxyphenyl)benzene?
1-iodo-3-(4-propoxyphenyl)benzene has a molecular weight of 338.19 g/mol, XLogP of 4.75, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-3-(4-propoxyphenyl)benzene is sourced from PubChem (CID 143253633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).