(Z)-2-(3-chlorophenyl)-1-(diethylamino)ethenol

C12H16ClNO — CID 139242788

IUPAC(Z)-2-(3-chlorophenyl)-1-(diethylamino)ethenol
SMILESCCN(CC)/C(O)=C/c1cccc(Cl)c1
InChIInChI=1S/C12H16ClNO/c1-3-14(4-2)12(15)9-10-6-5-7-11(13)8-10/h5-9,15H,3-4H2,1-2H3/b12-9-
InChIKeyYXQRTCCFEUZGGF-XFXZXTDPSA-N
MW225.72 g/mol
LogP3.54
Rot. Bonds4

About (Z)-2-(3-chlorophenyl)-1-(diethylamino)ethenol

(Z)-2-(3-chlorophenyl)-1-(diethylamino)ethenol (PubChem CID 139242788) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is (Z)-2-(3-chlorophenyl)-1-(diethylamino)ethenol.

Molecular Properties

Compound Name(Z)-2-(3-chlorophenyl)-1-(diethylamino)ethenol
PubChem CID139242788
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name(Z)-2-(3-chlorophenyl)-1-(diethylamino)ethenol
SMILESCCN(CC)/C(O)=C/c1cccc(Cl)c1
InChIInChI=1S/C12H16ClNO/c1-3-14(4-2)12(15)9-10-6-5-7-11(13)8-10/h5-9,15H,3-4H2,1-2H3/b12-9-
InChIKeyYXQRTCCFEUZGGF-XFXZXTDPSA-N
XLogP3.54
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

(Z)-1-(diethylamino)-2-(3-nitrophenyl)ethenol
CID 139242791
1-chloro-3-[(E)-2-methylpent-1-enyl]benzene
CID 174941626
3-(3-chlorophenyl)-N,2-dimethylprop-2-en-1-amine
CID 79340878
(2Z,3Z)-2,3-bis[(3-chlorophenyl)methylidene]butanedial
CID 11370939
(2Z)-2-[(3-chlorophenyl)methylidene]-3,3-dimethylbutan-1-amine
CID 115034284
(Z)-3-(3-chlorophenyl)-2-fluoroprop-2-enoic acid
CID 122235656
4-(3-chlorophenyl)-3-ethoxycarbonylbut-3-enoic acid
CID 139765791
(1E)-1-(3-chlorophenyl)-4-[(dimethylamino)methyl]-2-phenylpenta-1,4-dien-3-one
CID 160883901
2-[(3-chlorobenzoyl)-ethylamino]acetic acid
CID 61021485
4-[(E)-2-(3-chlorophenyl)ethenyl]-N,N-diphenylaniline
CID 20650304
(E)-3-(3-chlorophenyl)-2-phenylprop-2-enal
CID 82117781
(E)-3-(3-chlorophenyl)-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylprop-2-enamide
CID 55453994

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(3-chlorophenyl)-1-(diethylamino)ethenol?
The IUPAC name of (Z)-2-(3-chlorophenyl)-1-(diethylamino)ethenol (CID 139242788) is (Z)-2-(3-chlorophenyl)-1-(diethylamino)ethenol.
What is the SMILES notation for (Z)-2-(3-chlorophenyl)-1-(diethylamino)ethenol?
The canonical SMILES for (Z)-2-(3-chlorophenyl)-1-(diethylamino)ethenol is CCN(CC)/C(O)=C/c1cccc(Cl)c1.
What is the InChIKey of (Z)-2-(3-chlorophenyl)-1-(diethylamino)ethenol?
The InChIKey is YXQRTCCFEUZGGF-XFXZXTDPSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-3-14(4-2)12(15)9-10-6-5-7-11(13)8-10/h5-9,15H,3-4H2,1-2H3/b12-9-.
What are the key properties of (Z)-2-(3-chlorophenyl)-1-(diethylamino)ethenol?
(Z)-2-(3-chlorophenyl)-1-(diethylamino)ethenol has a molecular weight of 225.72 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(3-chlorophenyl)-1-(diethylamino)ethenol is sourced from PubChem (CID 139242788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).