4-[(1R)-1-aminobut-3-enyl]-2-chlorophenol

C10H12ClNO — CID 55272146

IUPAC4-[(1R)-1-aminobut-3-enyl]-2-chlorophenol
SMILESC=CC[C@@H](N)c1ccc(O)c(Cl)c1
InChIInChI=1S/C10H12ClNO/c1-2-3-9(12)7-4-5-10(13)8(11)6-7/h2,4-6,9,13H,1,3,12H2/t9-/m1/s1
InChIKeyNXIGHDQLDUUBEA-SECBINFHSA-N
MW197.66 g/mol
LogP2.62
Rot. Bonds3

About 4-[(1R)-1-aminobut-3-enyl]-2-chlorophenol

4-[(1R)-1-aminobut-3-enyl]-2-chlorophenol (PubChem CID 55272146) has the molecular formula C10H12ClNO and a molecular weight of 197.66 g/mol. Its IUPAC name is 4-[(1R)-1-aminobut-3-enyl]-2-chlorophenol.

Molecular Properties

Compound Name4-[(1R)-1-aminobut-3-enyl]-2-chlorophenol
PubChem CID55272146
Molecular FormulaC10H12ClNO
Molecular Weight197.66 g/mol
Exact Mass197.06
IUPAC Name4-[(1R)-1-aminobut-3-enyl]-2-chlorophenol
SMILESC=CC[C@@H](N)c1ccc(O)c(Cl)c1
InChIInChI=1S/C10H12ClNO/c1-2-3-9(12)7-4-5-10(13)8(11)6-7/h2,4-6,9,13H,1,3,12H2/t9-/m1/s1
InChIKeyNXIGHDQLDUUBEA-SECBINFHSA-N
XLogP2.62
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.66
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(1S)-1-amino-2-hydroxyethyl]-2-chlorophenol
CID 55277962
5-(1-aminobut-3-enyl)-2-bromophenol
CID 130043206
(1S)-1-(4-chloro-3-fluorophenyl)but-3-en-1-amine
CID 55272750
1-(3-bromo-4-chlorophenyl)but-3-en-1-amine
CID 79016120
(1R)-1-(3-chloro-4-methoxyphenyl)but-3-en-1-amine
CID 170896629
4-(1-aminobut-3-enyl)-2-methoxyphenol
CID 55295606
4-[(1R)-1-aminoprop-2-enyl]-2-chlorophenol;hydrochloride
CID 171202442
4-[(1S)-1-aminoprop-2-enyl]-2-chlorophenol;hydrochloride
CID 171221995
4-[(1R)-1-aminobut-3-enyl]-2,6-dichloroaniline
CID 131172310
4-[(1R)-1-aminobut-3-enyl]-2-nitrophenol
CID 171199934
4-[(1R)-1-amino-3-hydroxypropyl]-2-chlorophenol
CID 130691653
4-[(1R)-1-aminobut-3-enyl]-2-ethoxyphenol;hydrochloride
CID 171200827

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-aminobut-3-enyl]-2-chlorophenol?
The IUPAC name of 4-[(1R)-1-aminobut-3-enyl]-2-chlorophenol (CID 55272146) is 4-[(1R)-1-aminobut-3-enyl]-2-chlorophenol.
What is the SMILES notation for 4-[(1R)-1-aminobut-3-enyl]-2-chlorophenol?
The canonical SMILES for 4-[(1R)-1-aminobut-3-enyl]-2-chlorophenol is C=CC[C@@H](N)c1ccc(O)c(Cl)c1.
What is the InChIKey of 4-[(1R)-1-aminobut-3-enyl]-2-chlorophenol?
The InChIKey is NXIGHDQLDUUBEA-SECBINFHSA-N. The full InChI is InChI=1S/C10H12ClNO/c1-2-3-9(12)7-4-5-10(13)8(11)6-7/h2,4-6,9,13H,1,3,12H2/t9-/m1/s1.
What are the key properties of 4-[(1R)-1-aminobut-3-enyl]-2-chlorophenol?
4-[(1R)-1-aminobut-3-enyl]-2-chlorophenol has a molecular weight of 197.66 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-aminobut-3-enyl]-2-chlorophenol is sourced from PubChem (CID 55272146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).