2-chloro-4-[(Z)-2-chloro-2-quinolin-2-ylethenyl]-6-methoxyphenol

C18H13Cl2NO2 — CID 135812114

IUPAC2-chloro-4-[(Z)-2-chloro-2-quinolin-2-ylethenyl]-6-methoxyphenol
SMILESCOc1cc(/C=C(\Cl)c2ccc3ccccc3n2)cc(Cl)c1O
InChIInChI=1S/C18H13Cl2NO2/c1-23-17-10-11(9-14(20)18(17)22)8-13(19)16-7-6-12-4-2-3-5-15(12)21-16/h2-10,22H,1H3/b13-8-
InChIKeyVOIZDPWWWWGITF-JYRVWZFOSA-N
MW346.21 g/mol
LogP5.34
Rot. Bonds3

About 2-chloro-4-[(Z)-2-chloro-2-quinolin-2-ylethenyl]-6-methoxyphenol

2-chloro-4-[(Z)-2-chloro-2-quinolin-2-ylethenyl]-6-methoxyphenol (PubChem CID 135812114) has the molecular formula C18H13Cl2NO2 and a molecular weight of 346.21 g/mol. Its IUPAC name is 2-chloro-4-[(Z)-2-chloro-2-quinolin-2-ylethenyl]-6-methoxyphenol.

Molecular Properties

Compound Name2-chloro-4-[(Z)-2-chloro-2-quinolin-2-ylethenyl]-6-methoxyphenol
PubChem CID135812114
Molecular FormulaC18H13Cl2NO2
Molecular Weight346.21 g/mol
Exact Mass345.03
IUPAC Name2-chloro-4-[(Z)-2-chloro-2-quinolin-2-ylethenyl]-6-methoxyphenol
SMILESCOc1cc(/C=C(\Cl)c2ccc3ccccc3n2)cc(Cl)c1O
InChIInChI=1S/C18H13Cl2NO2/c1-23-17-10-11(9-14(20)18(17)22)8-13(19)16-7-6-12-4-2-3-5-15(12)21-16/h2-10,22H,1H3/b13-8-
InChIKeyVOIZDPWWWWGITF-JYRVWZFOSA-N
XLogP5.34
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.21
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(Z)-1-chloro-2-(3-chloro-4-hydroxy-5-methoxyphenyl)ethenyl]-3,1-benzoxazin-4-one
CID 135574152
2-chloro-4-[(Z)-2-chloro-2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethenyl]-6-methoxyphenol
CID 135574251
(E)-3-(1,3-benzothiazol-2-yl)-4-(3-chloro-4-hydroxy-5-methoxyphenyl)but-3-enoic acid
CID 135680358
4-[(Z)-2-(1,3-benzothiazol-2-yl)-2-chloroethenyl]-2,6-dimethoxyphenol
CID 135771332
2-chloro-4-[(E)-(diphenylhydrazinylidene)methyl]-6-methoxyphenol
CID 135755057
4-[(E)-2-benzo[e][1,3]benzothiazol-2-ylethenyl]-2-chloro-6-methoxyphenol
CID 135763603
N-[4,5-dimethoxy-2-(quinoline-2-carbonylamino)phenyl]quinoline-2-carboxamide
CID 91594053
2-[(Z)-1-chloro-2-(3-chloro-5-ethoxy-4-hydroxyphenyl)ethenyl]-3H-quinazolin-4-one
CID 135612820
(E)-3-(3-chloro-4-hydroxy-5-methoxyphenyl)-1-pyridin-2-ylprop-2-en-1-one
CID 82185234
(E)-2-benzamido-3-(3-chloro-4-hydroxy-5-methoxyphenyl)prop-2-enoic acid
CID 6209896
(Z)-2-(1H-benzimidazol-2-yl)-N-benzyl-3-(3-chloro-4-hydroxy-5-methoxyphenyl)prop-2-enamide
CID 135734024
4-(3-methoxy-4-phenylmethoxyphenyl)-2-oxo-3-quinolin-2-ylbut-3-enoic acid
CID 3583686

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(Z)-2-chloro-2-quinolin-2-ylethenyl]-6-methoxyphenol?
The IUPAC name of 2-chloro-4-[(Z)-2-chloro-2-quinolin-2-ylethenyl]-6-methoxyphenol (CID 135812114) is 2-chloro-4-[(Z)-2-chloro-2-quinolin-2-ylethenyl]-6-methoxyphenol.
What is the SMILES notation for 2-chloro-4-[(Z)-2-chloro-2-quinolin-2-ylethenyl]-6-methoxyphenol?
The canonical SMILES for 2-chloro-4-[(Z)-2-chloro-2-quinolin-2-ylethenyl]-6-methoxyphenol is COc1cc(/C=C(\Cl)c2ccc3ccccc3n2)cc(Cl)c1O.
What is the InChIKey of 2-chloro-4-[(Z)-2-chloro-2-quinolin-2-ylethenyl]-6-methoxyphenol?
The InChIKey is VOIZDPWWWWGITF-JYRVWZFOSA-N. The full InChI is InChI=1S/C18H13Cl2NO2/c1-23-17-10-11(9-14(20)18(17)22)8-13(19)16-7-6-12-4-2-3-5-15(12)21-16/h2-10,22H,1H3/b13-8-.
What are the key properties of 2-chloro-4-[(Z)-2-chloro-2-quinolin-2-ylethenyl]-6-methoxyphenol?
2-chloro-4-[(Z)-2-chloro-2-quinolin-2-ylethenyl]-6-methoxyphenol has a molecular weight of 346.21 g/mol, XLogP of 5.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(Z)-2-chloro-2-quinolin-2-ylethenyl]-6-methoxyphenol is sourced from PubChem (CID 135812114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).