3-(5-amino-2-chlorophenyl)prop-2-en-1-ol

C9H10ClNO — CID 169453032

IUPAC3-(5-amino-2-chlorophenyl)prop-2-en-1-ol
SMILESNc1ccc(Cl)c(C=CCO)c1
InChIInChI=1S/C9H10ClNO/c10-9-4-3-8(11)6-7(9)2-1-5-12/h1-4,6,12H,5,11H2
InChIKeyLGSPKYVLRJKWMF-UHFFFAOYSA-N
MW183.64 g/mol
LogP1.93
Rot. Bonds2

About 3-(5-amino-2-chlorophenyl)prop-2-en-1-ol

3-(5-amino-2-chlorophenyl)prop-2-en-1-ol (PubChem CID 169453032) has the molecular formula C9H10ClNO and a molecular weight of 183.64 g/mol. Its IUPAC name is 3-(5-amino-2-chlorophenyl)prop-2-en-1-ol.

Molecular Properties

Compound Name3-(5-amino-2-chlorophenyl)prop-2-en-1-ol
PubChem CID169453032
Molecular FormulaC9H10ClNO
Molecular Weight183.64 g/mol
Exact Mass183.05
IUPAC Name3-(5-amino-2-chlorophenyl)prop-2-en-1-ol
SMILESNc1ccc(Cl)c(C=CCO)c1
InChIInChI=1S/C9H10ClNO/c10-9-4-3-8(11)6-7(9)2-1-5-12/h1-4,6,12H,5,11H2
InChIKeyLGSPKYVLRJKWMF-UHFFFAOYSA-N
XLogP1.93
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.64
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(5-amino-2-chlorophenyl)prop-2-ene-1-thiol
CID 169454822
2-[(E)-3-(5-amino-2-chlorophenyl)prop-2-enyl]propanedioic acid
CID 67900266
3-(4-amino-2-fluorophenyl)prop-2-en-1-ol
CID 169453035
3-(5-amino-2-methoxyphenyl)prop-2-en-1-ol
CID 169453414
3-(3-amino-4-chlorophenyl)prop-2-en-1-ol
CID 169453053
(E)-3-(2,3,4-trichlorophenyl)prop-2-en-1-ol
CID 173058709
tert-butyl N-[3-(5-amino-2-chlorophenyl)prop-2-enyl]carbamate
CID 169467171
2,5-dichloro-4-(3-hydroxyprop-1-enyl)phenol
CID 169453261
4-(4-amino-2-chlorophenyl)but-3-enal
CID 170481538
benzyl N-[4-(5-amino-2-chlorophenyl)but-3-enyl]carbamate
CID 170493708
3-(5-amino-2-chlorophenyl)-4-chloroaniline
CID 67542413
3-(6-chloro-1H-indol-5-yl)prop-2-en-1-ol
CID 169453478

Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-2-chlorophenyl)prop-2-en-1-ol?
The IUPAC name of 3-(5-amino-2-chlorophenyl)prop-2-en-1-ol (CID 169453032) is 3-(5-amino-2-chlorophenyl)prop-2-en-1-ol.
What is the SMILES notation for 3-(5-amino-2-chlorophenyl)prop-2-en-1-ol?
The canonical SMILES for 3-(5-amino-2-chlorophenyl)prop-2-en-1-ol is Nc1ccc(Cl)c(C=CCO)c1.
What is the InChIKey of 3-(5-amino-2-chlorophenyl)prop-2-en-1-ol?
The InChIKey is LGSPKYVLRJKWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO/c10-9-4-3-8(11)6-7(9)2-1-5-12/h1-4,6,12H,5,11H2.
What are the key properties of 3-(5-amino-2-chlorophenyl)prop-2-en-1-ol?
3-(5-amino-2-chlorophenyl)prop-2-en-1-ol has a molecular weight of 183.64 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-2-chlorophenyl)prop-2-en-1-ol is sourced from PubChem (CID 169453032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).