2-phosphanyl-3,4-dihydro-1H-isoquinolin-6-ol

C9H12NOP — CID 59950877

IUPAC2-phosphanyl-3,4-dihydro-1H-isoquinolin-6-ol
SMILESOc1ccc2c(c1)CCN(P)C2
InChIInChI=1S/C9H12NOP/c11-9-2-1-8-6-10(12)4-3-7(8)5-9/h1-2,5,11H,3-4,6,12H2
InChIKeyHCPUGJMRBSKEOQ-UHFFFAOYSA-N
MW181.18 g/mol
LogP1.54
Rot. Bonds

About 2-phosphanyl-3,4-dihydro-1H-isoquinolin-6-ol

2-phosphanyl-3,4-dihydro-1H-isoquinolin-6-ol (PubChem CID 59950877) has the molecular formula C9H12NOP and a molecular weight of 181.18 g/mol. Its IUPAC name is 2-phosphanyl-3,4-dihydro-1H-isoquinolin-6-ol.

Molecular Properties

Compound Name2-phosphanyl-3,4-dihydro-1H-isoquinolin-6-ol
PubChem CID59950877
Molecular FormulaC9H12NOP
Molecular Weight181.18 g/mol
Exact Mass181.07
IUPAC Name2-phosphanyl-3,4-dihydro-1H-isoquinolin-6-ol
SMILESOc1ccc2c(c1)CCN(P)C2
InChIInChI=1S/C9H12NOP/c11-9-2-1-8-6-10(12)4-3-7(8)5-9/h1-2,5,11H,3-4,6,12H2
InChIKeyHCPUGJMRBSKEOQ-UHFFFAOYSA-N
XLogP1.54
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.18
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-phosphanyl-3,4-dihydro-1H-isoquinolin-6-yl)methanol
CID 90944777
(2-phosphanyl-3,4-dihydro-1H-isoquinolin-6-yl)hydrazine
CID 118500942
2-bromo-1,3-dihydroisoindol-5-ol
CID 58602666
3-[(E)-4-(7-hydroxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)but-2-enyl]-1,2,4,5-tetrahydro-3-benzazepin-7-ol
CID 166186847
2-(2-pyrimidin-2-ylpyrimidin-5-yl)-3,4-dihydro-1H-isoquinolin-6-ol
CID 142341766
2-(chloromethylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-ol
CID 63665780
1-propan-2-yl-2,3-dihydroindol-6-ol
CID 84732134
(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-piperidin-1-ylmethanone
CID 78945026
2-[1-(7-hydroxy-2,3-dihydro-1H-inden-4-yl)ethyl]-3,4-dihydro-1H-isoquinolin-6-ol
CID 178067947
tert-butyl 3-(6-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)propanoate
CID 59595894
(2,5-dihydroxyphenyl)-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 107724119
8-hydroxy-1,3,4,5-tetrahydro-2-benzazepine-2-carboxylic acid
CID 18536400

Frequently Asked Questions

What is the IUPAC name of 2-phosphanyl-3,4-dihydro-1H-isoquinolin-6-ol?
The IUPAC name of 2-phosphanyl-3,4-dihydro-1H-isoquinolin-6-ol (CID 59950877) is 2-phosphanyl-3,4-dihydro-1H-isoquinolin-6-ol.
What is the SMILES notation for 2-phosphanyl-3,4-dihydro-1H-isoquinolin-6-ol?
The canonical SMILES for 2-phosphanyl-3,4-dihydro-1H-isoquinolin-6-ol is Oc1ccc2c(c1)CCN(P)C2.
What is the InChIKey of 2-phosphanyl-3,4-dihydro-1H-isoquinolin-6-ol?
The InChIKey is HCPUGJMRBSKEOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12NOP/c11-9-2-1-8-6-10(12)4-3-7(8)5-9/h1-2,5,11H,3-4,6,12H2.
What are the key properties of 2-phosphanyl-3,4-dihydro-1H-isoquinolin-6-ol?
2-phosphanyl-3,4-dihydro-1H-isoquinolin-6-ol has a molecular weight of 181.18 g/mol, XLogP of 1.54, 0 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-ol is sourced from PubChem (CID 59950877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).