3-(3-amino-4-chlorophenyl)prop-2-en-1-ol

C9H10ClNO — CID 169453053

IUPAC3-(3-amino-4-chlorophenyl)prop-2-en-1-ol
SMILESNc1cc(C=CCO)ccc1Cl
InChIInChI=1S/C9H10ClNO/c10-8-4-3-7(2-1-5-12)6-9(8)11/h1-4,6,12H,5,11H2
InChIKeyKERBVTYINZRVFN-UHFFFAOYSA-N
MW183.64 g/mol
LogP1.93
Rot. Bonds2

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

3-(3-amino-4-chlorophenyl)prop-2-en-1-ol (PubChem CID 169453053) has the molecular formula C9H10ClNO and a molecular weight of 183.64 g/mol. Its IUPAC name is 3-(3-amino-4-chlorophenyl)prop-2-en-1-ol.

Molecular Properties

Compound Name3-(3-amino-4-chlorophenyl)prop-2-en-1-ol
PubChem CID169453053
Molecular FormulaC9H10ClNO
Molecular Weight183.64 g/mol
Exact Mass183.05
IUPAC Name3-(3-amino-4-chlorophenyl)prop-2-en-1-ol
SMILESNc1cc(C=CCO)ccc1Cl
InChIInChI=1S/C9H10ClNO/c10-8-4-3-7(2-1-5-12)6-9(8)11/h1-4,6,12H,5,11H2
InChIKeyKERBVTYINZRVFN-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

2-amino-5-(3-hydroxyprop-1-enyl)phenol
CID 169453102
2-chloro-4-[(E)-3-hydroxyprop-1-enyl]phenol
CID 12641151
3-(4-bromo-3-chlorophenyl)prop-2-en-1-ol
CID 169454245
3-(4-amino-3-fluorophenyl)prop-2-en-1-ol
CID 169453039
(E)-3-(4-chloro-3-methoxyphenyl)prop-2-en-1-ol
CID 130131205
3-(3-amino-4-hydroperoxyphenyl)prop-2-en-1-ol
CID 123425328
3-(3-amino-4-methoxyphenyl)prop-2-en-1-ol
CID 66664968
3-(4-chloro-3-nitrophenyl)prop-2-en-1-ol
CID 79334896
3-(5-amino-2-chlorophenyl)prop-2-en-1-ol
CID 169453032
2-chloro-4-(3-hydroxyprop-1-enyl)benzonitrile
CID 169453327
3-(3-amino-4-chlorophenyl)prop-2-enal
CID 86023938
(E)-3-(3-amino-4-chlorophenyl)prop-2-enal
CID 143649201

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-4-chlorophenyl)prop-2-en-1-ol?
The IUPAC name of 3-(3-amino-4-chlorophenyl)prop-2-en-1-ol (CID 169453053) is 3-(3-amino-4-chlorophenyl)prop-2-en-1-ol.
What is the SMILES notation for 3-(3-amino-4-chlorophenyl)prop-2-en-1-ol?
The canonical SMILES for 3-(3-amino-4-chlorophenyl)prop-2-en-1-ol is Nc1cc(C=CCO)ccc1Cl.
What is the InChIKey of 3-(3-amino-4-chlorophenyl)prop-2-en-1-ol?
The InChIKey is KERBVTYINZRVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO/c10-8-4-3-7(2-1-5-12)6-9(8)11/h1-4,6,12H,5,11H2.
What are the key properties of 3-(3-amino-4-chlorophenyl)prop-2-en-1-ol?
3-(3-amino-4-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-(3-amino-4-chlorophenyl)prop-2-en-1-ol is sourced from PubChem (CID 169453053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).