4-[(2,6-dichlorophenyl)methoxy]-1,2-benzoxazole

C14H9Cl2NO2 — CID 175054494

IUPAC4-[(2,6-dichlorophenyl)methoxy]-1,2-benzoxazole
SMILESClc1cccc(Cl)c1COc1cccc2oncc12
InChIInChI=1S/C14H9Cl2NO2/c15-11-3-1-4-12(16)10(11)8-18-13-5-2-6-14-9(13)7-17-19-14/h1-7H,8H2
InChIKeyLIGBKARUKLLSCD-UHFFFAOYSA-N
MW294.14 g/mol
LogP4.71
Rot. Bonds3

About 4-[(2,6-dichlorophenyl)methoxy]-1,2-benzoxazole

4-[(2,6-dichlorophenyl)methoxy]-1,2-benzoxazole (PubChem CID 175054494) has the molecular formula C14H9Cl2NO2 and a molecular weight of 294.14 g/mol. Its IUPAC name is 4-[(2,6-dichlorophenyl)methoxy]-1,2-benzoxazole.

Molecular Properties

Compound Name4-[(2,6-dichlorophenyl)methoxy]-1,2-benzoxazole
PubChem CID175054494
Molecular FormulaC14H9Cl2NO2
Molecular Weight294.14 g/mol
Exact Mass293.00
IUPAC Name4-[(2,6-dichlorophenyl)methoxy]-1,2-benzoxazole
SMILESClc1cccc(Cl)c1COc1cccc2oncc12
InChIInChI=1S/C14H9Cl2NO2/c15-11-3-1-4-12(16)10(11)8-18-13-5-2-6-14-9(13)7-17-19-14/h1-7H,8H2
InChIKeyLIGBKARUKLLSCD-UHFFFAOYSA-N
XLogP4.71
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.14
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-bromophenoxy)methyl]-1,3-dichlorobenzene
CID 28825797
2-[2-[(2,6-dichlorophenyl)methoxy]phenoxy]ethanol
CID 78879031
[2-[(2,6-dichlorophenyl)methoxy]phenyl]-trifluoroboranuide
CID 63677225
potassium [2-[(2,6-dichlorophenyl)methoxy]phenyl]-trifluoroboranuide
CID 63677224
5-[(2-chlorophenoxy)methyl]-1,3-thiazole
CID 112644769
5-[(2,6-dichlorophenyl)methoxy]-2-methylpyrimidine
CID 170608959
2-[2-chloro-6-(1,2-oxazol-5-ylmethoxy)phenyl]ethanamine
CID 114321413
N-[[2-chloro-6-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]-2-methoxyethanamine
CID 115978986
3-[(2,6-dichlorophenyl)methoxy]pyridin-2-amine;3-phenylmethoxypyridin-2-amine
CID 161236656
(1S)-1-[2-[(2,6-dichlorophenyl)methoxy]phenyl]propan-1-amine
CID 78944066
2-[6-amino-5-[(2,6-dichlorophenyl)methoxy]-3-pyridinyl]phenol
CID 10451208
2-bromo-5-[(2,6-dichlorophenyl)methoxy]pyridine
CID 103695201

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dichlorophenyl)methoxy]-1,2-benzoxazole?
The IUPAC name of 4-[(2,6-dichlorophenyl)methoxy]-1,2-benzoxazole (CID 175054494) is 4-[(2,6-dichlorophenyl)methoxy]-1,2-benzoxazole.
What is the SMILES notation for 4-[(2,6-dichlorophenyl)methoxy]-1,2-benzoxazole?
The canonical SMILES for 4-[(2,6-dichlorophenyl)methoxy]-1,2-benzoxazole is Clc1cccc(Cl)c1COc1cccc2oncc12.
What is the InChIKey of 4-[(2,6-dichlorophenyl)methoxy]-1,2-benzoxazole?
The InChIKey is LIGBKARUKLLSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2NO2/c15-11-3-1-4-12(16)10(11)8-18-13-5-2-6-14-9(13)7-17-19-14/h1-7H,8H2.
What are the key properties of 4-[(2,6-dichlorophenyl)methoxy]-1,2-benzoxazole?
4-[(2,6-dichlorophenyl)methoxy]-1,2-benzoxazole has a molecular weight of 294.14 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dichlorophenyl)methoxy]-1,2-benzoxazole is sourced from PubChem (CID 175054494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).