(1S,2R,3S)-3-amino-1-chloro-1,2,3,4-tetrahydrophenanthren-2-ol

C14H14ClNO — CID 22843614

IUPAC(1S,2R,3S)-3-amino-1-chloro-1,2,3,4-tetrahydrophenanthren-2-ol
SMILESN[C@H]1Cc2c(ccc3ccccc23)[C@H](Cl)[C@@H]1O
InChIInChI=1S/C14H14ClNO/c15-13-10-6-5-8-3-1-2-4-9(8)11(10)7-12(16)14(13)17/h1-6,12-14,17H,7,16H2/t12-,13-,14+/m0/s1
InChIKeyPWMZGRIILGHFRV-MELADBBJSA-N
MW247.73 g/mol
LogP2.36
Rot. Bonds

About (1S,2R,3S)-3-amino-1-chloro-1,2,3,4-tetrahydrophenanthren-2-ol

(1S,2R,3S)-3-amino-1-chloro-1,2,3,4-tetrahydrophenanthren-2-ol (PubChem CID 22843614) has the molecular formula C14H14ClNO and a molecular weight of 247.73 g/mol. Its IUPAC name is (1S,2R,3S)-3-amino-1-chloro-1,2,3,4-tetrahydrophenanthren-2-ol.

Molecular Properties

Compound Name(1S,2R,3S)-3-amino-1-chloro-1,2,3,4-tetrahydrophenanthren-2-ol
PubChem CID22843614
Molecular FormulaC14H14ClNO
Molecular Weight247.73 g/mol
Exact Mass247.08
IUPAC Name(1S,2R,3S)-3-amino-1-chloro-1,2,3,4-tetrahydrophenanthren-2-ol
SMILESN[C@H]1Cc2c(ccc3ccccc23)[C@H](Cl)[C@@H]1O
InChIInChI=1S/C14H14ClNO/c15-13-10-6-5-8-3-1-2-4-9(8)11(10)7-12(16)14(13)17/h1-6,12-14,17H,7,16H2/t12-,13-,14+/m0/s1
InChIKeyPWMZGRIILGHFRV-MELADBBJSA-N
XLogP2.36
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1S,2R,3S)-3-amino-1-chloro-1,2,3,4-tetrahydrophenanthren-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S,2R,3S)-3-amino-1-chloro-1,2,3,4-tetrahydrophenanthren-2-ol?
The IUPAC name of (1S,2R,3S)-3-amino-1-chloro-1,2,3,4-tetrahydrophenanthren-2-ol (CID 22843614) is (1S,2R,3S)-3-amino-1-chloro-1,2,3,4-tetrahydrophenanthren-2-ol.
What is the SMILES notation for (1S,2R,3S)-3-amino-1-chloro-1,2,3,4-tetrahydrophenanthren-2-ol?
The canonical SMILES for (1S,2R,3S)-3-amino-1-chloro-1,2,3,4-tetrahydrophenanthren-2-ol is N[C@H]1Cc2c(ccc3ccccc23)[C@H](Cl)[C@@H]1O.
What is the InChIKey of (1S,2R,3S)-3-amino-1-chloro-1,2,3,4-tetrahydrophenanthren-2-ol?
The InChIKey is PWMZGRIILGHFRV-MELADBBJSA-N. The full InChI is InChI=1S/C14H14ClNO/c15-13-10-6-5-8-3-1-2-4-9(8)11(10)7-12(16)14(13)17/h1-6,12-14,17H,7,16H2/t12-,13-,14+/m0/s1.
What are the key properties of (1S,2R,3S)-3-amino-1-chloro-1,2,3,4-tetrahydrophenanthren-2-ol?
(1S,2R,3S)-3-amino-1-chloro-1,2,3,4-tetrahydrophenanthren-2-ol has a molecular weight of 247.73 g/mol, XLogP of 2.36, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3S)-3-amino-1-chloro-1,2,3,4-tetrahydrophenanthren-2-ol is sourced from PubChem (CID 22843614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).