2-chloro-4-[(E)-2-(5-chloro-1,3-benzoxazol-2-yl)ethenyl]-6-ethoxyphenol

C17H13Cl2NO3 — CID 135556574

IUPAC2-chloro-4-[(E)-2-(5-chloro-1,3-benzoxazol-2-yl)ethenyl]-6-ethoxyphenol
SMILESCCOc1cc(/C=C/c2nc3cc(Cl)ccc3o2)cc(Cl)c1O
InChIInChI=1S/C17H13Cl2NO3/c1-2-22-15-8-10(7-12(19)17(15)21)3-6-16-20-13-9-11(18)4-5-14(13)23-16/h3-9,21H,2H2,1H3/b6-3+
InChIKeyQOTKIKYUEZFEBK-ZZXKWVIFSA-N
MW350.20 g/mol
LogP5.41
Rot. Bonds4

About 2-chloro-4-[(E)-2-(5-chloro-1,3-benzoxazol-2-yl)ethenyl]-6-ethoxyphenol

2-chloro-4-[(E)-2-(5-chloro-1,3-benzoxazol-2-yl)ethenyl]-6-ethoxyphenol (PubChem CID 135556574) has the molecular formula C17H13Cl2NO3 and a molecular weight of 350.20 g/mol. Its IUPAC name is 2-chloro-4-[(E)-2-(5-chloro-1,3-benzoxazol-2-yl)ethenyl]-6-ethoxyphenol.

Molecular Properties

Compound Name2-chloro-4-[(E)-2-(5-chloro-1,3-benzoxazol-2-yl)ethenyl]-6-ethoxyphenol
PubChem CID135556574
Molecular FormulaC17H13Cl2NO3
Molecular Weight350.20 g/mol
Exact Mass349.03
IUPAC Name2-chloro-4-[(E)-2-(5-chloro-1,3-benzoxazol-2-yl)ethenyl]-6-ethoxyphenol
SMILESCCOc1cc(/C=C/c2nc3cc(Cl)ccc3o2)cc(Cl)c1O
InChIInChI=1S/C17H13Cl2NO3/c1-2-22-15-8-10(7-12(19)17(15)21)3-6-16-20-13-9-11(18)4-5-14(13)23-16/h3-9,21H,2H2,1H3/b6-3+
InChIKeyQOTKIKYUEZFEBK-ZZXKWVIFSA-N
XLogP5.41
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.20
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-[(E)-2-(3-ethoxyphenyl)ethenyl]-1,3-benzoxazole
CID 52643423
2-[2-bromo-4-[(E)-2-(5-chloro-1,3-benzoxazol-2-yl)ethenyl]-6-ethoxyphenoxy]-N,N-dimethylacetamide
CID 39902492
2-[4-[(E)-2-(5-chloro-1,3-benzoxazol-2-yl)ethenyl]-2-ethoxyphenoxy]-N,N-dimethylpropanamide
CID 17456708
2-[4-[(E)-2-(5-chloro-1,3-benzoxazol-2-yl)ethenyl]-2-ethoxyphenoxy]-N-phenylacetamide
CID 16555336
(E)-3-(3-chloro-5-ethoxy-4-hydroxyphenyl)-1-(4-chlorophenyl)prop-2-en-1-one
CID 8833031
5-chloro-N-[(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 1282391
5-chloro-2-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]-1,3-benzoxazole
CID 25474793
2-[(E)-2-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]ethenyl]-5-phenyl-1,3-benzoxazole
CID 6183544
[2-[(E)-2-(4-chlorophenyl)ethenyl]-1,3-benzoxazol-5-yl]methanol
CID 82357890
3-[(E)-2-(3-chloro-5-ethoxy-4-hydroxyphenyl)ethenyl]-1H-quinoxalin-2-one
CID 135725610
5-chloro-2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-1,3-benzoxazole
CID 4884473
(Z)-1-(5-chloro-1,3-benzoxazol-2-yl)prop-1-en-2-ol
CID 135996985

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(E)-2-(5-chloro-1,3-benzoxazol-2-yl)ethenyl]-6-ethoxyphenol?
The IUPAC name of 2-chloro-4-[(E)-2-(5-chloro-1,3-benzoxazol-2-yl)ethenyl]-6-ethoxyphenol (CID 135556574) is 2-chloro-4-[(E)-2-(5-chloro-1,3-benzoxazol-2-yl)ethenyl]-6-ethoxyphenol.
What is the SMILES notation for 2-chloro-4-[(E)-2-(5-chloro-1,3-benzoxazol-2-yl)ethenyl]-6-ethoxyphenol?
The canonical SMILES for 2-chloro-4-[(E)-2-(5-chloro-1,3-benzoxazol-2-yl)ethenyl]-6-ethoxyphenol is CCOc1cc(/C=C/c2nc3cc(Cl)ccc3o2)cc(Cl)c1O.
What is the InChIKey of 2-chloro-4-[(E)-2-(5-chloro-1,3-benzoxazol-2-yl)ethenyl]-6-ethoxyphenol?
The InChIKey is QOTKIKYUEZFEBK-ZZXKWVIFSA-N. The full InChI is InChI=1S/C17H13Cl2NO3/c1-2-22-15-8-10(7-12(19)17(15)21)3-6-16-20-13-9-11(18)4-5-14(13)23-16/h3-9,21H,2H2,1H3/b6-3+.
What are the key properties of 2-chloro-4-[(E)-2-(5-chloro-1,3-benzoxazol-2-yl)ethenyl]-6-ethoxyphenol?
2-chloro-4-[(E)-2-(5-chloro-1,3-benzoxazol-2-yl)ethenyl]-6-ethoxyphenol has a molecular weight of 350.20 g/mol, XLogP of 5.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(E)-2-(5-chloro-1,3-benzoxazol-2-yl)ethenyl]-6-ethoxyphenol is sourced from PubChem (CID 135556574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).