2-chloro-4-[(Z)-2-chloro-2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethenyl]-6-methoxyphenol

C17H12Cl2N2O3 — CID 135574251

IUPAC2-chloro-4-[(Z)-2-chloro-2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethenyl]-6-methoxyphenol
SMILESCOc1cc(/C=C(\Cl)c2nc(-c3ccccc3)no2)cc(Cl)c1O
InChIInChI=1S/C17H12Cl2N2O3/c1-23-14-9-10(7-12(18)15(14)22)8-13(19)17-20-16(21-24-17)11-5-3-2-4-6-11/h2-9,22H,1H3/b13-8-
InChIKeyRUIWJCOPWDUSPS-JYRVWZFOSA-N
MW363.20 g/mol
LogP4.84
Rot. Bonds4

About 2-chloro-4-[(Z)-2-chloro-2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethenyl]-6-methoxyphenol

2-chloro-4-[(Z)-2-chloro-2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethenyl]-6-methoxyphenol (PubChem CID 135574251) has the molecular formula C17H12Cl2N2O3 and a molecular weight of 363.20 g/mol. Its IUPAC name is 2-chloro-4-[(Z)-2-chloro-2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethenyl]-6-methoxyphenol.

Molecular Properties

Compound Name2-chloro-4-[(Z)-2-chloro-2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethenyl]-6-methoxyphenol
PubChem CID135574251
Molecular FormulaC17H12Cl2N2O3
Molecular Weight363.20 g/mol
Exact Mass362.02
IUPAC Name2-chloro-4-[(Z)-2-chloro-2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethenyl]-6-methoxyphenol
SMILESCOc1cc(/C=C(\Cl)c2nc(-c3ccccc3)no2)cc(Cl)c1O
InChIInChI=1S/C17H12Cl2N2O3/c1-23-14-9-10(7-12(18)15(14)22)8-13(19)17-20-16(21-24-17)11-5-3-2-4-6-11/h2-9,22H,1H3/b13-8-
InChIKeyRUIWJCOPWDUSPS-JYRVWZFOSA-N
XLogP4.84
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.20
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-chloro-4-[(Z)-2-chloro-2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethenyl]-6-methoxyphenol with MolForge

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Related Compounds

5-[(Z)-1-chloro-2-(3,4,5-trimethoxyphenyl)ethenyl]-3-phenyl-1,2,4-oxadiazole
CID 9038059
4-[(Z)-2-chloro-2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethenyl]-2,6-dimethylphenol
CID 135574248
5-[(Z)-1-chloro-2-phenylethenyl]-3-phenyl-1,2,4-oxadiazole
CID 9038019
2-[(Z)-1-chloro-2-(3-chloro-4-hydroxy-5-methoxyphenyl)ethenyl]-3,1-benzoxazin-4-one
CID 135574152
5-[(Z)-1-chloro-2-(4-methoxyphenyl)ethenyl]-3-(3-chlorophenyl)-1,2,4-oxadiazole
CID 9041072
5-[(Z)-1-chloro-2-(4-ethoxyphenyl)ethenyl]-3-phenyl-1,2,4-oxadiazole
CID 9038106
2-chloro-4-[(Z)-2-chloro-2-quinolin-2-ylethenyl]-6-methoxyphenol
CID 135812114
5-[(Z)-1-chloro-2-phenylethenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 9036804
4-[(Z)-2-chloro-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethenyl]-2-methoxy-6-nitrophenol
CID 135574217
4-[(Z)-2-chloro-2-(5-phenyl-1,3-oxazol-2-yl)ethenyl]-2,6-dimethoxyphenol
CID 135573709
3-[(Z)-2-chloro-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethenyl]phenol
CID 9041121
(E)-3-(3-chloro-5-ethoxy-4-hydroxyphenyl)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]prop-2-enenitrile
CID 135828364

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(Z)-2-chloro-2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethenyl]-6-methoxyphenol?
The IUPAC name of 2-chloro-4-[(Z)-2-chloro-2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethenyl]-6-methoxyphenol (CID 135574251) is 2-chloro-4-[(Z)-2-chloro-2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethenyl]-6-methoxyphenol.
What is the SMILES notation for 2-chloro-4-[(Z)-2-chloro-2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethenyl]-6-methoxyphenol?
The canonical SMILES for 2-chloro-4-[(Z)-2-chloro-2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethenyl]-6-methoxyphenol is COc1cc(/C=C(\Cl)c2nc(-c3ccccc3)no2)cc(Cl)c1O.
What is the InChIKey of 2-chloro-4-[(Z)-2-chloro-2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethenyl]-6-methoxyphenol?
The InChIKey is RUIWJCOPWDUSPS-JYRVWZFOSA-N. The full InChI is InChI=1S/C17H12Cl2N2O3/c1-23-14-9-10(7-12(18)15(14)22)8-13(19)17-20-16(21-24-17)11-5-3-2-4-6-11/h2-9,22H,1H3/b13-8-.
What are the key properties of 2-chloro-4-[(Z)-2-chloro-2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethenyl]-6-methoxyphenol?
2-chloro-4-[(Z)-2-chloro-2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethenyl]-6-methoxyphenol has a molecular weight of 363.20 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(Z)-2-chloro-2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethenyl]-6-methoxyphenol is sourced from PubChem (CID 135574251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).