1-[3-(1,3-dihydroisoindol-2-ylmethyl)-4-methoxyphenyl]ethanol

C18H21NO2 — CID 62229958

IUPAC1-[3-(1,3-dihydroisoindol-2-ylmethyl)-4-methoxyphenyl]ethanol
SMILESCOc1ccc(C(C)O)cc1CN1Cc2ccccc2C1
InChIInChI=1S/C18H21NO2/c1-13(20)14-7-8-18(21-2)17(9-14)12-19-10-15-5-3-4-6-16(15)11-19/h3-9,13,20H,10-12H2,1-2H3
InChIKeyVPDJELGXBKZFHT-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.26
Rot. Bonds4

About 1-[3-(1,3-dihydroisoindol-2-ylmethyl)-4-methoxyphenyl]ethanol

1-[3-(1,3-dihydroisoindol-2-ylmethyl)-4-methoxyphenyl]ethanol (PubChem CID 62229958) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-[3-(1,3-dihydroisoindol-2-ylmethyl)-4-methoxyphenyl]ethanol.

Molecular Properties

Compound Name1-[3-(1,3-dihydroisoindol-2-ylmethyl)-4-methoxyphenyl]ethanol
PubChem CID62229958
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name1-[3-(1,3-dihydroisoindol-2-ylmethyl)-4-methoxyphenyl]ethanol
SMILESCOc1ccc(C(C)O)cc1CN1Cc2ccccc2C1
InChIInChI=1S/C18H21NO2/c1-13(20)14-7-8-18(21-2)17(9-14)12-19-10-15-5-3-4-6-16(15)11-19/h3-9,13,20H,10-12H2,1-2H3
InChIKeyVPDJELGXBKZFHT-UHFFFAOYSA-N
XLogP3.26
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-methoxy-3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]ethanol
CID 64597058
1-(3-ethyl-4-methoxyphenyl)ethanol
CID 83529963
1-[[5-(1-hydroxyethyl)-2-methoxyphenyl]methyl]-4-methylpiperazine-2,5-dione
CID 79936035
1-[[5-(1-hydroxyethyl)-2-methoxyphenyl]methyl]-4-methylpiperidine-2,6-dione
CID 79497402
1-[3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)-4-methoxyphenyl]ethanol
CID 65320149
[3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-methoxyphenyl]methanol
CID 62018768
4-(1,3-dihydroisoindol-2-ylmethyl)-2,6-dimethoxyphenol
CID 82958668
1-[4-methoxy-3-(3,3,3-trifluoropropyl)phenyl]ethanol
CID 163533268
1-[3-[(4-ethylpiperazin-1-yl)methyl]-4-methoxyphenyl]ethanamine
CID 60860556
1-[3-[(4,4-dimethylpiperidin-1-yl)methyl]-4-ethoxyphenyl]ethanol
CID 62931458
2-[(2-methoxyphenyl)methyl]-1,3-dihydroisoindol-5-amine
CID 43370115
1-[[5-(1-hydroxyethyl)-2-methoxyphenyl]methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 42946432

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1,3-dihydroisoindol-2-ylmethyl)-4-methoxyphenyl]ethanol?
The IUPAC name of 1-[3-(1,3-dihydroisoindol-2-ylmethyl)-4-methoxyphenyl]ethanol (CID 62229958) is 1-[3-(1,3-dihydroisoindol-2-ylmethyl)-4-methoxyphenyl]ethanol.
What is the SMILES notation for 1-[3-(1,3-dihydroisoindol-2-ylmethyl)-4-methoxyphenyl]ethanol?
The canonical SMILES for 1-[3-(1,3-dihydroisoindol-2-ylmethyl)-4-methoxyphenyl]ethanol is COc1ccc(C(C)O)cc1CN1Cc2ccccc2C1.
What is the InChIKey of 1-[3-(1,3-dihydroisoindol-2-ylmethyl)-4-methoxyphenyl]ethanol?
The InChIKey is VPDJELGXBKZFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-13(20)14-7-8-18(21-2)17(9-14)12-19-10-15-5-3-4-6-16(15)11-19/h3-9,13,20H,10-12H2,1-2H3.
What are the key properties of 1-[3-(1,3-dihydroisoindol-2-ylmethyl)-4-methoxyphenyl]ethanol?
1-[3-(1,3-dihydroisoindol-2-ylmethyl)-4-methoxyphenyl]ethanol has a molecular weight of 283.37 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1,3-dihydroisoindol-2-ylmethyl)-4-methoxyphenyl]ethanol is sourced from PubChem (CID 62229958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).