2-(1,3-dihydroisoindol-2-yl)-1-(2-methoxyphenyl)ethanol

C17H19NO2 — CID 62231982

IUPAC2-(1,3-dihydroisoindol-2-yl)-1-(2-methoxyphenyl)ethanol
SMILESCOc1ccccc1C(O)CN1Cc2ccccc2C1
InChIInChI=1S/C17H19NO2/c1-20-17-9-5-4-8-15(17)16(19)12-18-10-13-6-2-3-7-14(13)11-18/h2-9,16,19H,10-12H2,1H3
InChIKeyXCEQAODXGLHUBB-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.74
Rot. Bonds4

About 2-(1,3-dihydroisoindol-2-yl)-1-(2-methoxyphenyl)ethanol

2-(1,3-dihydroisoindol-2-yl)-1-(2-methoxyphenyl)ethanol (PubChem CID 62231982) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-(1,3-dihydroisoindol-2-yl)-1-(2-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(1,3-dihydroisoindol-2-yl)-1-(2-methoxyphenyl)ethanol
PubChem CID62231982
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name2-(1,3-dihydroisoindol-2-yl)-1-(2-methoxyphenyl)ethanol
SMILESCOc1ccccc1C(O)CN1Cc2ccccc2C1
InChIInChI=1S/C17H19NO2/c1-20-17-9-5-4-8-15(17)16(19)12-18-10-13-6-2-3-7-14(13)11-18/h2-9,16,19H,10-12H2,1H3
InChIKeyXCEQAODXGLHUBB-UHFFFAOYSA-N
XLogP2.74
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxyphenyl)-2-(4-propylpiperidin-1-yl)ethanol
CID 62205945
1-(2-methoxyphenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanol
CID 63165717
2-(1,3-dihydroisoindol-2-yl)-1-(3-methoxyphenyl)ethanol
CID 62231335
2-amino-1-(2-methoxyphenyl)ethanol;hydrochloride
CID 54593518
2-bromo-1-(2-methoxyphenyl)ethanol
CID 53441093
(1R)-1-(2-methoxyphenyl)-2-(triazol-1-yl)ethanol
CID 178069278
2-(2,2-dimethoxyethyl)-1,3-dihydroisoindole
CID 66223848
3-chloro-1-(2-methoxyphenyl)propan-1-ol
CID 22621589
1-(2-methoxyphenyl)-2-(methylamino)ethanol
CID 14888491
(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(2-methoxyphenoxy)propan-2-ol
CID 40840923
1-(3-methoxy-2-propan-2-yloxyphenyl)-2-pyrrolidin-1-ylethanol
CID 22401530
(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(2-methoxyphenoxy)propan-2-ol
CID 40840925

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dihydroisoindol-2-yl)-1-(2-methoxyphenyl)ethanol?
The IUPAC name of 2-(1,3-dihydroisoindol-2-yl)-1-(2-methoxyphenyl)ethanol (CID 62231982) is 2-(1,3-dihydroisoindol-2-yl)-1-(2-methoxyphenyl)ethanol.
What is the SMILES notation for 2-(1,3-dihydroisoindol-2-yl)-1-(2-methoxyphenyl)ethanol?
The canonical SMILES for 2-(1,3-dihydroisoindol-2-yl)-1-(2-methoxyphenyl)ethanol is COc1ccccc1C(O)CN1Cc2ccccc2C1.
What is the InChIKey of 2-(1,3-dihydroisoindol-2-yl)-1-(2-methoxyphenyl)ethanol?
The InChIKey is XCEQAODXGLHUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-20-17-9-5-4-8-15(17)16(19)12-18-10-13-6-2-3-7-14(13)11-18/h2-9,16,19H,10-12H2,1H3.
What are the key properties of 2-(1,3-dihydroisoindol-2-yl)-1-(2-methoxyphenyl)ethanol?
2-(1,3-dihydroisoindol-2-yl)-1-(2-methoxyphenyl)ethanol has a molecular weight of 269.34 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dihydroisoindol-2-yl)-1-(2-methoxyphenyl)ethanol is sourced from PubChem (CID 62231982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).