1-chloro-2-[(4-ethoxyphenyl)methyl]-4-iodobenzene

C15H14ClIO — CID 25207582

IUPAC1-chloro-2-[(4-ethoxyphenyl)methyl]-4-iodobenzene
SMILESCCOc1ccc(Cc2cc(I)ccc2Cl)cc1
InChIInChI=1S/C15H14ClIO/c1-2-18-14-6-3-11(4-7-14)9-12-10-13(17)5-8-15(12)16/h3-8,10H,2,9H2,1H3
InChIKeyCZFRIPGHKLGMEU-UHFFFAOYSA-N
MW372.63 g/mol
LogP4.93
Rot. Bonds4

About 1-chloro-2-[(4-ethoxyphenyl)methyl]-4-iodobenzene

1-chloro-2-[(4-ethoxyphenyl)methyl]-4-iodobenzene (PubChem CID 25207582) has the molecular formula C15H14ClIO and a molecular weight of 372.63 g/mol. Its IUPAC name is 1-chloro-2-[(4-ethoxyphenyl)methyl]-4-iodobenzene.

Molecular Properties

Compound Name1-chloro-2-[(4-ethoxyphenyl)methyl]-4-iodobenzene
PubChem CID25207582
Molecular FormulaC15H14ClIO
Molecular Weight372.63 g/mol
Exact Mass371.98
IUPAC Name1-chloro-2-[(4-ethoxyphenyl)methyl]-4-iodobenzene
SMILESCCOc1ccc(Cc2cc(I)ccc2Cl)cc1
InChIInChI=1S/C15H14ClIO/c1-2-18-14-6-3-11(4-7-14)9-12-10-13(17)5-8-15(12)16/h3-8,10H,2,9H2,1H3
InChIKeyCZFRIPGHKLGMEU-UHFFFAOYSA-N
XLogP4.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.63
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[(4-ethoxyphenyl)methyl]-4-iodobenzene?
The IUPAC name of 1-chloro-2-[(4-ethoxyphenyl)methyl]-4-iodobenzene (CID 25207582) is 1-chloro-2-[(4-ethoxyphenyl)methyl]-4-iodobenzene.
What is the SMILES notation for 1-chloro-2-[(4-ethoxyphenyl)methyl]-4-iodobenzene?
The canonical SMILES for 1-chloro-2-[(4-ethoxyphenyl)methyl]-4-iodobenzene is CCOc1ccc(Cc2cc(I)ccc2Cl)cc1.
What is the InChIKey of 1-chloro-2-[(4-ethoxyphenyl)methyl]-4-iodobenzene?
The InChIKey is CZFRIPGHKLGMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClIO/c1-2-18-14-6-3-11(4-7-14)9-12-10-13(17)5-8-15(12)16/h3-8,10H,2,9H2,1H3.
What are the key properties of 1-chloro-2-[(4-ethoxyphenyl)methyl]-4-iodobenzene?
1-chloro-2-[(4-ethoxyphenyl)methyl]-4-iodobenzene has a molecular weight of 372.63 g/mol, XLogP of 4.93, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[(4-ethoxyphenyl)methyl]-4-iodobenzene is sourced from PubChem (CID 25207582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).