[(R)-[(1R,2S)-1-hydroxy-1-naphthalen-1-yl-3,4-dihydro-2H-naphthalen-2-yl]-phenylmethyl]-trimethylazanium iodide

C30H32INO — CID 10745224

IUPAC[(R)-[(1R,2S)-1-hydroxy-1-naphthalen-1-yl-3,4-dihydro-2H-naphthalen-2-yl]-phenylmethyl]-trimethylazanium iodide
SMILESC[N+](C)(C)[C@@H](c1ccccc1)[C@@H]1CCc2ccccc2[C@@]1(O)c1cccc2ccccc12.[I-]
InChIInChI=1S/C30H32NO.HI/c1-31(2,3)29(24-14-5-4-6-15-24)28-21-20-23-13-8-10-18-26(23)30(28,32)27-19-11-16-22-12-7-9-17-25(22)27;/h4-19,28-29,32H,20-21H2,1-3H3;1H/q+1;/p-1/t28-,29-,30+;/m0./s1
InChIKeyMQMUNJQJSOLSQJ-UIPQRRKWSA-M
MW549.50 g/mol
LogP3.09
Rot. Bonds4

About [(R)-[(1R,2S)-1-hydroxy-1-naphthalen-1-yl-3,4-dihydro-2H-naphthalen-2-yl]-phenylmethyl]-trimethylazanium iodide

[(R)-[(1R,2S)-1-hydroxy-1-naphthalen-1-yl-3,4-dihydro-2H-naphthalen-2-yl]-phenylmethyl]-trimethylazanium iodide (PubChem CID 10745224) has the molecular formula C30H32INO and a molecular weight of 549.50 g/mol. Its IUPAC name is [(R)-[(1R,2S)-1-hydroxy-1-naphthalen-1-yl-3,4-dihydro-2H-naphthalen-2-yl]-phenylmethyl]-trimethylazanium iodide.

Molecular Properties

Compound Name[(R)-[(1R,2S)-1-hydroxy-1-naphthalen-1-yl-3,4-dihydro-2H-naphthalen-2-yl]-phenylmethyl]-trimethylazanium iodide
PubChem CID10745224
Molecular FormulaC30H32INO
Molecular Weight549.50 g/mol
Exact Mass549.15
IUPAC Name[(R)-[(1R,2S)-1-hydroxy-1-naphthalen-1-yl-3,4-dihydro-2H-naphthalen-2-yl]-phenylmethyl]-trimethylazanium iodide
SMILESC[N+](C)(C)[C@@H](c1ccccc1)[C@@H]1CCc2ccccc2[C@@]1(O)c1cccc2ccccc12.[I-]
InChIInChI=1S/C30H32NO.HI/c1-31(2,3)29(24-14-5-4-6-15-24)28-21-20-23-13-8-10-18-26(23)30(28,32)27-19-11-16-22-12-7-9-17-25(22)27;/h4-19,28-29,32H,20-21H2,1-3H3;1H/q+1;/p-1/t28-,29-,30+;/m0./s1
InChIKeyMQMUNJQJSOLSQJ-UIPQRRKWSA-M
XLogP3.09
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500549.50
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(R)-[(1R,2S)-1-hydroxy-1-naphthalen-1-yl-3,4-dihydro-2H-naphthalen-2-yl]-phenylmethyl]-trimethylazanium iodide?
The IUPAC name of [(R)-[(1R,2S)-1-hydroxy-1-naphthalen-1-yl-3,4-dihydro-2H-naphthalen-2-yl]-phenylmethyl]-trimethylazanium iodide (CID 10745224) is [(R)-[(1R,2S)-1-hydroxy-1-naphthalen-1-yl-3,4-dihydro-2H-naphthalen-2-yl]-phenylmethyl]-trimethylazanium iodide.
What is the SMILES notation for [(R)-[(1R,2S)-1-hydroxy-1-naphthalen-1-yl-3,4-dihydro-2H-naphthalen-2-yl]-phenylmethyl]-trimethylazanium iodide?
The canonical SMILES for [(R)-[(1R,2S)-1-hydroxy-1-naphthalen-1-yl-3,4-dihydro-2H-naphthalen-2-yl]-phenylmethyl]-trimethylazanium iodide is C[N+](C)(C)[C@@H](c1ccccc1)[C@@H]1CCc2ccccc2[C@@]1(O)c1cccc2ccccc12.[I-].
What is the InChIKey of [(R)-[(1R,2S)-1-hydroxy-1-naphthalen-1-yl-3,4-dihydro-2H-naphthalen-2-yl]-phenylmethyl]-trimethylazanium iodide?
The InChIKey is MQMUNJQJSOLSQJ-UIPQRRKWSA-M. The full InChI is InChI=1S/C30H32NO.HI/c1-31(2,3)29(24-14-5-4-6-15-24)28-21-20-23-13-8-10-18-26(23)30(28,32)27-19-11-16-22-12-7-9-17-25(22)27;/h4-19,28-29,32H,20-21H2,1-3H3;1H/q+1;/p-1/t28-,29-,30+;/m0./s1.
What are the key properties of [(R)-[(1R,2S)-1-hydroxy-1-naphthalen-1-yl-3,4-dihydro-2H-naphthalen-2-yl]-phenylmethyl]-trimethylazanium iodide?
[(R)-[(1R,2S)-1-hydroxy-1-naphthalen-1-yl-3,4-dihydro-2H-naphthalen-2-yl]-phenylmethyl]-trimethylazanium iodide has a molecular weight of 549.50 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(R)-[(1R,2S)-1-hydroxy-1-naphthalen-1-yl-3,4-dihydro-2H-naphthalen-2-yl]-phenylmethyl]-trimethylazanium iodide is sourced from PubChem (CID 10745224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).