1,2-dichloro-4-(1-iodoprop-2-ynoxymethyl)benzene

C10H7Cl2IO — CID 154114541

IUPAC1,2-dichloro-4-(1-iodoprop-2-ynoxymethyl)benzene
SMILESC#CC(I)OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H7Cl2IO/c1-2-10(13)14-6-7-3-4-8(11)9(12)5-7/h1,3-5,10H,6H2
InChIKeyWDFYEMIPCPXBNW-UHFFFAOYSA-N
MW340.98 g/mol
LogP3.90
Rot. Bonds3

About 1,2-dichloro-4-(1-iodoprop-2-ynoxymethyl)benzene

1,2-dichloro-4-(1-iodoprop-2-ynoxymethyl)benzene (PubChem CID 154114541) has the molecular formula C10H7Cl2IO and a molecular weight of 340.98 g/mol. Its IUPAC name is 1,2-dichloro-4-(1-iodoprop-2-ynoxymethyl)benzene.

Molecular Properties

Compound Name1,2-dichloro-4-(1-iodoprop-2-ynoxymethyl)benzene
PubChem CID154114541
Molecular FormulaC10H7Cl2IO
Molecular Weight340.98 g/mol
Exact Mass339.89
IUPAC Name1,2-dichloro-4-(1-iodoprop-2-ynoxymethyl)benzene
SMILESC#CC(I)OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H7Cl2IO/c1-2-10(13)14-6-7-3-4-8(11)9(12)5-7/h1,3-5,10H,6H2
InChIKeyWDFYEMIPCPXBNW-UHFFFAOYSA-N
XLogP3.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.98
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 95964233
O-[(3,4-dichlorophenyl)methyl]hydroxylamine
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1,2-dichloro-4-(hydroperoxymethyl)benzene
CID 166873402
1-(3,4-dichlorophenyl)but-3-yn-2-ylhydrazine
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3,5-dichloro-4-[(3,4-dichlorophenyl)methoxy]phenol
CID 54127176
1,2-dichloro-4-[[4-(chloromethyl)phenoxy]methyl]benzene
CID 22280207
(3,4-dichlorophenyl)methyl 2,6-dichlorobenzoate
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2-[2-[(3,4-dichlorophenyl)methoxy]ethoxy]ethanamine
CID 82352780
[4-[(3,4-dichlorophenyl)methoxy]phenyl]methanamine
CID 22687493
1-(3,4-dichlorophenyl)-N-iodomethanamine
CID 126576131

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-4-(1-iodoprop-2-ynoxymethyl)benzene?
The IUPAC name of 1,2-dichloro-4-(1-iodoprop-2-ynoxymethyl)benzene (CID 154114541) is 1,2-dichloro-4-(1-iodoprop-2-ynoxymethyl)benzene.
What is the SMILES notation for 1,2-dichloro-4-(1-iodoprop-2-ynoxymethyl)benzene?
The canonical SMILES for 1,2-dichloro-4-(1-iodoprop-2-ynoxymethyl)benzene is C#CC(I)OCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1,2-dichloro-4-(1-iodoprop-2-ynoxymethyl)benzene?
The InChIKey is WDFYEMIPCPXBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2IO/c1-2-10(13)14-6-7-3-4-8(11)9(12)5-7/h1,3-5,10H,6H2.
What are the key properties of 1,2-dichloro-4-(1-iodoprop-2-ynoxymethyl)benzene?
1,2-dichloro-4-(1-iodoprop-2-ynoxymethyl)benzene has a molecular weight of 340.98 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-4-(1-iodoprop-2-ynoxymethyl)benzene is sourced from PubChem (CID 154114541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).