2,4-dichloro-1-[[3-(isocyanomethyl)phenyl]methoxy]benzene

C15H11Cl2NO — CID 155784427

IUPAC2,4-dichloro-1-[[3-(isocyanomethyl)phenyl]methoxy]benzene
SMILES[C-]#[N+]Cc1cccc(COc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C15H11Cl2NO/c1-18-9-11-3-2-4-12(7-11)10-19-15-6-5-13(16)8-14(15)17/h2-8H,9-10H2
InChIKeyZUXINGOWCACZLN-UHFFFAOYSA-N
MW292.17 g/mol
LogP4.99
Rot. Bonds4

About 2,4-dichloro-1-[[3-(isocyanomethyl)phenyl]methoxy]benzene

2,4-dichloro-1-[[3-(isocyanomethyl)phenyl]methoxy]benzene (PubChem CID 155784427) has the molecular formula C15H11Cl2NO and a molecular weight of 292.17 g/mol. Its IUPAC name is 2,4-dichloro-1-[[3-(isocyanomethyl)phenyl]methoxy]benzene.

Molecular Properties

Compound Name2,4-dichloro-1-[[3-(isocyanomethyl)phenyl]methoxy]benzene
PubChem CID155784427
Molecular FormulaC15H11Cl2NO
Molecular Weight292.17 g/mol
Exact Mass291.02
IUPAC Name2,4-dichloro-1-[[3-(isocyanomethyl)phenyl]methoxy]benzene
SMILES[C-]#[N+]Cc1cccc(COc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C15H11Cl2NO/c1-18-9-11-3-2-4-12(7-11)10-19-15-6-5-13(16)8-14(15)17/h2-8H,9-10H2
InChIKeyZUXINGOWCACZLN-UHFFFAOYSA-N
XLogP4.99
TPSA13.59 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.17
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[(2,4-dichlorophenoxy)methyl]phenyl]acetic acid
CID 155146115
1-[[3-[(2,4-dichlorophenoxy)methyl]phenyl]methyl]azetidine
CID 175987694
N-[[3-[(2,4-dichlorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 63496273
3-[[3-[(2,4-dichlorophenoxy)methyl]phenyl]methyl]azetidine
CID 166114037
5-[3-[(2,4-dichlorophenoxy)methyl]phenyl]-2H-tetrazole
CID 155154155
1-bromo-3-(bromomethyl)benzene;1-[(3-bromophenyl)methoxy]-2,4-dichlorobenzene;2,4-dichlorophenol
CID 167660062
3-chloro-4-[(3-chlorophenyl)methoxy]benzoate
CID 8707027
1-[3-[(2-bromo-4-chlorophenoxy)methyl]phenyl]-N-methylmethanamine
CID 62459792
[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]boronic acid;molecular hydrogen
CID 159390577
[3-[(2-chloro-4-methylphenoxy)methyl]phenyl]methanamine
CID 62669892
N-[[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]methyl]ethanamine
CID 63499398
1-[4-[(2,4-dichlorophenoxy)methyl]phenyl]-N-methylmethanamine
CID 62459209

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-1-[[3-(isocyanomethyl)phenyl]methoxy]benzene?
The IUPAC name of 2,4-dichloro-1-[[3-(isocyanomethyl)phenyl]methoxy]benzene (CID 155784427) is 2,4-dichloro-1-[[3-(isocyanomethyl)phenyl]methoxy]benzene.
What is the SMILES notation for 2,4-dichloro-1-[[3-(isocyanomethyl)phenyl]methoxy]benzene?
The canonical SMILES for 2,4-dichloro-1-[[3-(isocyanomethyl)phenyl]methoxy]benzene is [C-]#[N+]Cc1cccc(COc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 2,4-dichloro-1-[[3-(isocyanomethyl)phenyl]methoxy]benzene?
The InChIKey is ZUXINGOWCACZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2NO/c1-18-9-11-3-2-4-12(7-11)10-19-15-6-5-13(16)8-14(15)17/h2-8H,9-10H2.
What are the key properties of 2,4-dichloro-1-[[3-(isocyanomethyl)phenyl]methoxy]benzene?
2,4-dichloro-1-[[3-(isocyanomethyl)phenyl]methoxy]benzene has a molecular weight of 292.17 g/mol, XLogP of 4.99, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-1-[[3-(isocyanomethyl)phenyl]methoxy]benzene is sourced from PubChem (CID 155784427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).