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

C17H19NO2 — CID 62231335

IUPAC2-(1,3-dihydroisoindol-2-yl)-1-(3-methoxyphenyl)ethanol
SMILESCOc1cccc(C(O)CN2Cc3ccccc3C2)c1
InChIInChI=1S/C17H19NO2/c1-20-16-8-4-7-13(9-16)17(19)12-18-10-14-5-2-3-6-15(14)11-18/h2-9,17,19H,10-12H2,1H3
InChIKeyMOTKVPUUEXSGGY-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.74
Rot. Bonds4

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

2-(1,3-dihydroisoindol-2-yl)-1-(3-methoxyphenyl)ethanol (PubChem CID 62231335) 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-(3-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(1,3-dihydroisoindol-2-yl)-1-(3-methoxyphenyl)ethanol
PubChem CID62231335
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name2-(1,3-dihydroisoindol-2-yl)-1-(3-methoxyphenyl)ethanol
SMILESCOc1cccc(C(O)CN2Cc3ccccc3C2)c1
InChIInChI=1S/C17H19NO2/c1-20-16-8-4-7-13(9-16)17(19)12-18-10-14-5-2-3-6-15(14)11-18/h2-9,17,19H,10-12H2,1H3
InChIKeyMOTKVPUUEXSGGY-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

Analyze 2-(1,3-dihydroisoindol-2-yl)-1-(3-methoxyphenyl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(3-methoxyphenyl)ethanol
CID 112706792
2-(3-ethylpyrrolidin-1-yl)-1-(3-methoxyphenyl)ethanol
CID 115688624
2-(4-hydroxyiminopiperidin-1-yl)-1-(3-methoxyphenyl)ethanol
CID 81134999
1-(3-methoxyphenyl)-2-(3-methoxypyrrolidin-1-yl)ethanol
CID 103536862
2-[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]azetidin-3-yl]propanoic acid
CID 116684103
2-[4-[2-hydroxy-2-(3-methoxyphenyl)ethyl]piperazin-1-yl]cyclohepta-2,4,6-trien-1-one
CID 15592159
1-(3-methoxyphenyl)-2-[3-(2-methoxyphenyl)pyrrolidin-1-yl]ethanol
CID 111436470
4-(2-fluorophenyl)-1-[(2S)-2-hydroxy-2-(3-methoxyphenyl)ethyl]piperidin-4-ol
CID 51501596
2-[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]piperidin-4-yl]acetic acid
CID 81134822
1-(3-methoxyphenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanol
CID 63165585
2-(2,6-dimethylpiperazin-1-yl)-1-(3-methoxyphenyl)ethanol
CID 81133921
methyl 1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrrolidine-3-carboxylate
CID 78966764

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dihydroisoindol-2-yl)-1-(3-methoxyphenyl)ethanol?
The IUPAC name of 2-(1,3-dihydroisoindol-2-yl)-1-(3-methoxyphenyl)ethanol (CID 62231335) is 2-(1,3-dihydroisoindol-2-yl)-1-(3-methoxyphenyl)ethanol.
What is the SMILES notation for 2-(1,3-dihydroisoindol-2-yl)-1-(3-methoxyphenyl)ethanol?
The canonical SMILES for 2-(1,3-dihydroisoindol-2-yl)-1-(3-methoxyphenyl)ethanol is COc1cccc(C(O)CN2Cc3ccccc3C2)c1.
What is the InChIKey of 2-(1,3-dihydroisoindol-2-yl)-1-(3-methoxyphenyl)ethanol?
The InChIKey is MOTKVPUUEXSGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-20-16-8-4-7-13(9-16)17(19)12-18-10-14-5-2-3-6-15(14)11-18/h2-9,17,19H,10-12H2,1H3.
What are the key properties of 2-(1,3-dihydroisoindol-2-yl)-1-(3-methoxyphenyl)ethanol?
2-(1,3-dihydroisoindol-2-yl)-1-(3-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-(3-methoxyphenyl)ethanol is sourced from PubChem (CID 62231335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).