(3R)-3-[(S)-hydroxy(naphthalen-1-yl)methyl]-2-methyl-3H-isoindol-1-one

C20H17NO2 — CID 101159080

IUPAC(3R)-3-[(S)-hydroxy(naphthalen-1-yl)methyl]-2-methyl-3H-isoindol-1-one
SMILESCN1C(=O)c2ccccc2[C@@H]1[C@@H](O)c1cccc2ccccc12
InChIInChI=1S/C20H17NO2/c1-21-18(15-10-4-5-11-17(15)20(21)23)19(22)16-12-6-8-13-7-2-3-9-14(13)16/h2-12,18-19,22H,1H3/t18-,19+/m1/s1
InChIKeyGIVLVAIZNUJBHZ-MOPGFXCFSA-N
MW303.36 g/mol
LogP3.70
Rot. Bonds2

About (3R)-3-[(S)-hydroxy(naphthalen-1-yl)methyl]-2-methyl-3H-isoindol-1-one

(3R)-3-[(S)-hydroxy(naphthalen-1-yl)methyl]-2-methyl-3H-isoindol-1-one (PubChem CID 101159080) has the molecular formula C20H17NO2 and a molecular weight of 303.36 g/mol. Its IUPAC name is (3R)-3-[(S)-hydroxy(naphthalen-1-yl)methyl]-2-methyl-3H-isoindol-1-one.

Molecular Properties

Compound Name(3R)-3-[(S)-hydroxy(naphthalen-1-yl)methyl]-2-methyl-3H-isoindol-1-one
PubChem CID101159080
Molecular FormulaC20H17NO2
Molecular Weight303.36 g/mol
Exact Mass303.13
IUPAC Name(3R)-3-[(S)-hydroxy(naphthalen-1-yl)methyl]-2-methyl-3H-isoindol-1-one
SMILESCN1C(=O)c2ccccc2[C@@H]1[C@@H](O)c1cccc2ccccc12
InChIInChI=1S/C20H17NO2/c1-21-18(15-10-4-5-11-17(15)20(21)23)19(22)16-12-6-8-13-7-2-3-9-14(13)16/h2-12,18-19,22H,1H3/t18-,19+/m1/s1
InChIKeyGIVLVAIZNUJBHZ-MOPGFXCFSA-N
XLogP3.70
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(S)-hydroxy(naphthalen-1-yl)methyl]-2-methyl-3H-isoindol-1-one?
The IUPAC name of (3R)-3-[(S)-hydroxy(naphthalen-1-yl)methyl]-2-methyl-3H-isoindol-1-one (CID 101159080) is (3R)-3-[(S)-hydroxy(naphthalen-1-yl)methyl]-2-methyl-3H-isoindol-1-one.
What is the SMILES notation for (3R)-3-[(S)-hydroxy(naphthalen-1-yl)methyl]-2-methyl-3H-isoindol-1-one?
The canonical SMILES for (3R)-3-[(S)-hydroxy(naphthalen-1-yl)methyl]-2-methyl-3H-isoindol-1-one is CN1C(=O)c2ccccc2[C@@H]1[C@@H](O)c1cccc2ccccc12.
What is the InChIKey of (3R)-3-[(S)-hydroxy(naphthalen-1-yl)methyl]-2-methyl-3H-isoindol-1-one?
The InChIKey is GIVLVAIZNUJBHZ-MOPGFXCFSA-N. The full InChI is InChI=1S/C20H17NO2/c1-21-18(15-10-4-5-11-17(15)20(21)23)19(22)16-12-6-8-13-7-2-3-9-14(13)16/h2-12,18-19,22H,1H3/t18-,19+/m1/s1.
What are the key properties of (3R)-3-[(S)-hydroxy(naphthalen-1-yl)methyl]-2-methyl-3H-isoindol-1-one?
(3R)-3-[(S)-hydroxy(naphthalen-1-yl)methyl]-2-methyl-3H-isoindol-1-one has a molecular weight of 303.36 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(S)-hydroxy(naphthalen-1-yl)methyl]-2-methyl-3H-isoindol-1-one is sourced from PubChem (CID 101159080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).