2-[5-(2,6-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-6-methoxyphenol

C15H10Cl2N2O3 — CID 142771785

IUPAC2-[5-(2,6-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-6-methoxyphenol
SMILESCOc1cccc(-c2nnc(-c3c(Cl)cccc3Cl)o2)c1O
InChIInChI=1S/C15H10Cl2N2O3/c1-21-11-7-2-4-8(13(11)20)14-18-19-15(22-14)12-9(16)5-3-6-10(12)17/h2-7,20H,1H3
InChIKeyQZFHWWKWBWSLIK-UHFFFAOYSA-N
MW337.16 g/mol
LogP4.42
Rot. Bonds3

About 2-[5-(2,6-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-6-methoxyphenol

2-[5-(2,6-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-6-methoxyphenol (PubChem CID 142771785) has the molecular formula C15H10Cl2N2O3 and a molecular weight of 337.16 g/mol. Its IUPAC name is 2-[5-(2,6-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-6-methoxyphenol.

Molecular Properties

Compound Name2-[5-(2,6-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-6-methoxyphenol
PubChem CID142771785
Molecular FormulaC15H10Cl2N2O3
Molecular Weight337.16 g/mol
Exact Mass336.01
IUPAC Name2-[5-(2,6-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-6-methoxyphenol
SMILESCOc1cccc(-c2nnc(-c3c(Cl)cccc3Cl)o2)c1O
InChIInChI=1S/C15H10Cl2N2O3/c1-21-11-7-2-4-8(13(11)20)14-18-19-15(22-14)12-9(16)5-3-6-10(12)17/h2-7,20H,1H3
InChIKeyQZFHWWKWBWSLIK-UHFFFAOYSA-N
XLogP4.42
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.16
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-6-[5-(2,4,6-trimethylphenyl)-1,3,4-oxadiazol-2-yl]phenol
CID 142771787
3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-8-methoxychromen-2-one
CID 1119347
4-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenol
CID 137228616
2,5-bis(2-chlorophenyl)-1,3,4-oxadiazole
CID 756154
1,3-dichloro-2-(2,3-dimethoxyphenyl)benzene
CID 16755069
2-(2-chlorophenyl)-5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazole
CID 24684675
2-[(5S)-3-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-6-methoxyphenol
CID 134962986
1,3-dichloro-2-(3-methoxy-2-phenylphenyl)benzene
CID 141041687
[2-[5-(2,6-difluorophenyl)-1,3,4-oxadiazol-2-yl]phenyl] acetate
CID 135391526
2-methoxy-6-(1-methylpyrazol-4-yl)phenol
CID 83130518
2-(2,4-dichlorophenyl)-5-(4-methoxy-3-methyl-1-benzofuran-2-yl)-1,3,4-oxadiazole
CID 10981650
2-chloro-5-(2,3-dichlorophenyl)-1,3,4-oxadiazole
CID 114771035

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,6-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-6-methoxyphenol?
The IUPAC name of 2-[5-(2,6-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-6-methoxyphenol (CID 142771785) is 2-[5-(2,6-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-6-methoxyphenol.
What is the SMILES notation for 2-[5-(2,6-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-6-methoxyphenol?
The canonical SMILES for 2-[5-(2,6-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-6-methoxyphenol is COc1cccc(-c2nnc(-c3c(Cl)cccc3Cl)o2)c1O.
What is the InChIKey of 2-[5-(2,6-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-6-methoxyphenol?
The InChIKey is QZFHWWKWBWSLIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2O3/c1-21-11-7-2-4-8(13(11)20)14-18-19-15(22-14)12-9(16)5-3-6-10(12)17/h2-7,20H,1H3.
What are the key properties of 2-[5-(2,6-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-6-methoxyphenol?
2-[5-(2,6-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-6-methoxyphenol has a molecular weight of 337.16 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,6-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-6-methoxyphenol is sourced from PubChem (CID 142771785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).