(2-phosphanyl-3,4-dihydro-1H-isoquinolin-6-yl)methanol

C10H14NOP — CID 90944777

IUPAC(2-phosphanyl-3,4-dihydro-1H-isoquinolin-6-yl)methanol
SMILESOCc1ccc2c(c1)CCN(P)C2
InChIInChI=1S/C10H14NOP/c12-7-8-1-2-10-6-11(13)4-3-9(10)5-8/h1-2,5,12H,3-4,6-7,13H2
InChIKeyOCBMTSMNWRMPJE-UHFFFAOYSA-N
MW195.20 g/mol
LogP1.33
Rot. Bonds1

About (2-phosphanyl-3,4-dihydro-1H-isoquinolin-6-yl)methanol

(2-phosphanyl-3,4-dihydro-1H-isoquinolin-6-yl)methanol (PubChem CID 90944777) has the molecular formula C10H14NOP and a molecular weight of 195.20 g/mol. Its IUPAC name is (2-phosphanyl-3,4-dihydro-1H-isoquinolin-6-yl)methanol.

Molecular Properties

Compound Name(2-phosphanyl-3,4-dihydro-1H-isoquinolin-6-yl)methanol
PubChem CID90944777
Molecular FormulaC10H14NOP
Molecular Weight195.20 g/mol
Exact Mass195.08
IUPAC Name(2-phosphanyl-3,4-dihydro-1H-isoquinolin-6-yl)methanol
SMILESOCc1ccc2c(c1)CCN(P)C2
InChIInChI=1S/C10H14NOP/c12-7-8-1-2-10-6-11(13)4-3-9(10)5-8/h1-2,5,12H,3-4,6-7,13H2
InChIKeyOCBMTSMNWRMPJE-UHFFFAOYSA-N
XLogP1.33
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.20
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2-phosphanyl-3,4-dihydro-1H-isoquinolin-6-yl)methanol 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 (2-phosphanyl-3,4-dihydro-1H-isoquinolin-6-yl)methanol?
The IUPAC name of (2-phosphanyl-3,4-dihydro-1H-isoquinolin-6-yl)methanol (CID 90944777) is (2-phosphanyl-3,4-dihydro-1H-isoquinolin-6-yl)methanol.
What is the SMILES notation for (2-phosphanyl-3,4-dihydro-1H-isoquinolin-6-yl)methanol?
The canonical SMILES for (2-phosphanyl-3,4-dihydro-1H-isoquinolin-6-yl)methanol is OCc1ccc2c(c1)CCN(P)C2.
What is the InChIKey of (2-phosphanyl-3,4-dihydro-1H-isoquinolin-6-yl)methanol?
The InChIKey is OCBMTSMNWRMPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14NOP/c12-7-8-1-2-10-6-11(13)4-3-9(10)5-8/h1-2,5,12H,3-4,6-7,13H2.
What are the key properties of (2-phosphanyl-3,4-dihydro-1H-isoquinolin-6-yl)methanol?
(2-phosphanyl-3,4-dihydro-1H-isoquinolin-6-yl)methanol has a molecular weight of 195.20 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phosphanyl-3,4-dihydro-1H-isoquinolin-6-yl)methanol is sourced from PubChem (CID 90944777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).