(3R)-3-methoxy-2-(2-phenylethyl)-3H-isoindol-1-one

C17H17NO2 — CID 28685808

IUPAC(3R)-3-methoxy-2-(2-phenylethyl)-3H-isoindol-1-one
SMILESCO[C@@H]1c2ccccc2C(=O)N1CCc1ccccc1
InChIInChI=1S/C17H17NO2/c1-20-17-15-10-6-5-9-14(15)16(19)18(17)12-11-13-7-3-2-4-8-13/h2-10,17H,11-12H2,1H3/t17-/m1/s1
InChIKeyOOKDNMROBMLWBY-QGZVFWFLSA-N
MW267.33 g/mol
LogP3.03
Rot. Bonds4

About (3R)-3-methoxy-2-(2-phenylethyl)-3H-isoindol-1-one

(3R)-3-methoxy-2-(2-phenylethyl)-3H-isoindol-1-one (PubChem CID 28685808) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is (3R)-3-methoxy-2-(2-phenylethyl)-3H-isoindol-1-one.

Molecular Properties

Compound Name(3R)-3-methoxy-2-(2-phenylethyl)-3H-isoindol-1-one
PubChem CID28685808
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name(3R)-3-methoxy-2-(2-phenylethyl)-3H-isoindol-1-one
SMILESCO[C@@H]1c2ccccc2C(=O)N1CCc1ccccc1
InChIInChI=1S/C17H17NO2/c1-20-17-15-10-6-5-9-14(15)16(19)18(17)12-11-13-7-3-2-4-8-13/h2-10,17H,11-12H2,1H3/t17-/m1/s1
InChIKeyOOKDNMROBMLWBY-QGZVFWFLSA-N
XLogP3.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-2-[2-(4-chlorophenyl)ethyl]-3-methoxy-3H-isoindol-1-one
CID 41121391
(3R)-3-methoxy-2-(3-methylbutyl)-3H-isoindol-1-one
CID 28648875
3-methoxy-2-[(4-methoxyphenyl)methyl]-3H-isoindol-1-one
CID 3653878
(3R)-3-methoxy-2-[(2S)-4-phenylbutan-2-yl]-3H-isoindol-1-one
CID 28685732
3-(1-methoxy-3-oxo-1H-isoindol-2-yl)propyl-[6-[3-(1-methoxy-3-oxo-1H-isoindol-2-yl)propyl-dimethylazaniumyl]hexyl]-dimethylazanium dibromide
CID 10818793
ethyl 2-[[3-oxo-2-(2-phenylethyl)-1H-isoindol-1-yl]sulfanyl]acetate
CID 25246586
3-(4-chlorophenyl)-2-(2-phenylethyl)-3H-isoindol-1-one
CID 70328600
(3R)-3-methoxy-2-[[(2S)-oxolan-2-yl]methyl]-3H-isoindol-1-one
CID 41121461
(2Z)-2-[3-methyl-1-oxo-2-(2-phenylethyl)-3H-isoquinolin-4-ylidene]acetamide
CID 10448689
(2R)-2-naphthalen-1-yl-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one
CID 2414793
(1S)-N-(3-methoxypropyl)-3-oxo-2-(3-phenylpropyl)-1H-isoindole-1-carboxamide
CID 92714959
(3S)-3-[2-(2,5-dimethoxyphenyl)-1-methylindol-3-yl]-2-(2-phenylethyl)-3H-isoindol-1-one
CID 41031770

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methoxy-2-(2-phenylethyl)-3H-isoindol-1-one?
The IUPAC name of (3R)-3-methoxy-2-(2-phenylethyl)-3H-isoindol-1-one (CID 28685808) is (3R)-3-methoxy-2-(2-phenylethyl)-3H-isoindol-1-one.
What is the SMILES notation for (3R)-3-methoxy-2-(2-phenylethyl)-3H-isoindol-1-one?
The canonical SMILES for (3R)-3-methoxy-2-(2-phenylethyl)-3H-isoindol-1-one is CO[C@@H]1c2ccccc2C(=O)N1CCc1ccccc1.
What is the InChIKey of (3R)-3-methoxy-2-(2-phenylethyl)-3H-isoindol-1-one?
The InChIKey is OOKDNMROBMLWBY-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H17NO2/c1-20-17-15-10-6-5-9-14(15)16(19)18(17)12-11-13-7-3-2-4-8-13/h2-10,17H,11-12H2,1H3/t17-/m1/s1.
What are the key properties of (3R)-3-methoxy-2-(2-phenylethyl)-3H-isoindol-1-one?
(3R)-3-methoxy-2-(2-phenylethyl)-3H-isoindol-1-one has a molecular weight of 267.33 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methoxy-2-(2-phenylethyl)-3H-isoindol-1-one is sourced from PubChem (CID 28685808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).