(E)-4-amino-3-(3-chlorophenyl)but-2-en-1-ol

C10H12ClNO — CID 172583598

IUPAC(E)-4-amino-3-(3-chlorophenyl)but-2-en-1-ol
SMILESNC/C(=C/CO)c1cccc(Cl)c1
InChIInChI=1S/C10H12ClNO/c11-10-3-1-2-8(6-10)9(7-12)4-5-13/h1-4,6,13H,5,7,12H2/b9-4-
InChIKeyHETDGIPJSLINRL-WTKPLQERSA-N
MW197.67 g/mol
LogP1.67
Rot. Bonds3

About (E)-4-amino-3-(3-chlorophenyl)but-2-en-1-ol

(E)-4-amino-3-(3-chlorophenyl)but-2-en-1-ol (PubChem CID 172583598) has the molecular formula C10H12ClNO and a molecular weight of 197.67 g/mol. Its IUPAC name is (E)-4-amino-3-(3-chlorophenyl)but-2-en-1-ol.

Molecular Properties

Compound Name(E)-4-amino-3-(3-chlorophenyl)but-2-en-1-ol
PubChem CID172583598
Molecular FormulaC10H12ClNO
Molecular Weight197.67 g/mol
Exact Mass197.06
IUPAC Name(E)-4-amino-3-(3-chlorophenyl)but-2-en-1-ol
SMILESNC/C(=C/CO)c1cccc(Cl)c1
InChIInChI=1S/C10H12ClNO/c11-10-3-1-2-8(6-10)9(7-12)4-5-13/h1-4,6,13H,5,7,12H2/b9-4-
InChIKeyHETDGIPJSLINRL-WTKPLQERSA-N
XLogP1.67
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.67
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chlorophenyl)-3-fluoroprop-2-en-1-ol
CID 70429367
(Z)-3-(3-chlorophenyl)-3-cyclopropylprop-2-en-1-ol
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(E)-3-(3-chlorophenyl)-4,4,4-trifluorobut-2-en-1-amine
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(E)-4-(3-chlorophenyl)hex-3-enoic acid
CID 83950159
1-(3-chlorophenyl)ethenamine
CID 144912576
1-chloro-3-[1-(3-chlorophenyl)ethenyl]benzene
CID 10243768
1-[(E)-but-2-en-2-yl]-3-chlorobenzene
CID 20717800
1,3-dichlorobenzene;guanidine
CID 174959611
1-(3-chlorophenyl)butane-1,3-dione
CID 15256966
(E)-4-(3-chlorophenyl)pent-3-enoic acid
CID 83950160
3-(3-chlorophenyl)-3-iminopropanal
CID 86737070
(Z)-3-amino-3-(3-chlorophenyl)prop-2-enoic acid
CID 69004283

Frequently Asked Questions

What is the IUPAC name of (E)-4-amino-3-(3-chlorophenyl)but-2-en-1-ol?
The IUPAC name of (E)-4-amino-3-(3-chlorophenyl)but-2-en-1-ol (CID 172583598) is (E)-4-amino-3-(3-chlorophenyl)but-2-en-1-ol.
What is the SMILES notation for (E)-4-amino-3-(3-chlorophenyl)but-2-en-1-ol?
The canonical SMILES for (E)-4-amino-3-(3-chlorophenyl)but-2-en-1-ol is NC/C(=C/CO)c1cccc(Cl)c1.
What is the InChIKey of (E)-4-amino-3-(3-chlorophenyl)but-2-en-1-ol?
The InChIKey is HETDGIPJSLINRL-WTKPLQERSA-N. The full InChI is InChI=1S/C10H12ClNO/c11-10-3-1-2-8(6-10)9(7-12)4-5-13/h1-4,6,13H,5,7,12H2/b9-4-.
What are the key properties of (E)-4-amino-3-(3-chlorophenyl)but-2-en-1-ol?
(E)-4-amino-3-(3-chlorophenyl)but-2-en-1-ol has a molecular weight of 197.67 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-amino-3-(3-chlorophenyl)but-2-en-1-ol is sourced from PubChem (CID 172583598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).