4-ethoxy-1-iodo-2-phenylbenzene

C14H13IO — CID 156900261

IUPAC4-ethoxy-1-iodo-2-phenylbenzene
SMILESCCOc1ccc(I)c(-c2ccccc2)c1
InChIInChI=1S/C14H13IO/c1-2-16-12-8-9-14(15)13(10-12)11-6-4-3-5-7-11/h3-10H,2H2,1H3
InChIKeyFKOCJCQVWCTDHN-UHFFFAOYSA-N
MW324.16 g/mol
LogP4.36
Rot. Bonds3

About 4-ethoxy-1-iodo-2-phenylbenzene

4-ethoxy-1-iodo-2-phenylbenzene (PubChem CID 156900261) has the molecular formula C14H13IO and a molecular weight of 324.16 g/mol. Its IUPAC name is 4-ethoxy-1-iodo-2-phenylbenzene.

Molecular Properties

Compound Name4-ethoxy-1-iodo-2-phenylbenzene
PubChem CID156900261
Molecular FormulaC14H13IO
Molecular Weight324.16 g/mol
Exact Mass324.00
IUPAC Name4-ethoxy-1-iodo-2-phenylbenzene
SMILESCCOc1ccc(I)c(-c2ccccc2)c1
InChIInChI=1S/C14H13IO/c1-2-16-12-8-9-14(15)13(10-12)11-6-4-3-5-7-11/h3-10H,2H2,1H3
InChIKeyFKOCJCQVWCTDHN-UHFFFAOYSA-N
XLogP4.36
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 ≤ 54.36
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

2,4-diethoxy-1-phenylbenzene
CID 132889855
1,2,4,5-tetrakis[2-(4-ethoxyphenyl)phenyl]benzene
CID 59789051
ethoxybenzene;molecular iodine
CID 67763605
1,4-diethoxy-2-(4-ethoxyphenyl)benzene;molecular nitrogen
CID 70564094
4-ethoxy-2-nitro-1-phenylbenzene
CID 165358913
4-ethoxy-2-(4-methylphenyl)-6-phenylphenol
CID 86012109
ethoxybenzene chloride
CID 21193593
1-ethoxy-4-phenylbenzene;phenol
CID 174652155
N-[(5-ethoxy-2-iodophenyl)methyl]-1-phenylmethanamine
CID 19615475
2,4-diethoxy-1-(4-phenylmethoxyphenyl)benzene
CID 54039072
ethoxybenzene tetrafluoroborate
CID 174807216
6-ethoxy-3-phenylquinolin-2-amine;hydrochloride
CID 43866041

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1-iodo-2-phenylbenzene?
The IUPAC name of 4-ethoxy-1-iodo-2-phenylbenzene (CID 156900261) is 4-ethoxy-1-iodo-2-phenylbenzene.
What is the SMILES notation for 4-ethoxy-1-iodo-2-phenylbenzene?
The canonical SMILES for 4-ethoxy-1-iodo-2-phenylbenzene is CCOc1ccc(I)c(-c2ccccc2)c1.
What is the InChIKey of 4-ethoxy-1-iodo-2-phenylbenzene?
The InChIKey is FKOCJCQVWCTDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13IO/c1-2-16-12-8-9-14(15)13(10-12)11-6-4-3-5-7-11/h3-10H,2H2,1H3.
What are the key properties of 4-ethoxy-1-iodo-2-phenylbenzene?
4-ethoxy-1-iodo-2-phenylbenzene has a molecular weight of 324.16 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1-iodo-2-phenylbenzene is sourced from PubChem (CID 156900261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).