4-(1,3-dihydroisoindol-2-ylmethyl)-2,6-dimethoxyphenol

C17H19NO3 — CID 82958668

IUPAC4-(1,3-dihydroisoindol-2-ylmethyl)-2,6-dimethoxyphenol
SMILESCOc1cc(CN2Cc3ccccc3C2)cc(OC)c1O
InChIInChI=1S/C17H19NO3/c1-20-15-7-12(8-16(21-2)17(15)19)9-18-10-13-5-3-4-6-14(13)11-18/h3-8,19H,9-11H2,1-2H3
InChIKeyAOWSKGVATQLFSY-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.93
Rot. Bonds4

About 4-(1,3-dihydroisoindol-2-ylmethyl)-2,6-dimethoxyphenol

4-(1,3-dihydroisoindol-2-ylmethyl)-2,6-dimethoxyphenol (PubChem CID 82958668) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 4-(1,3-dihydroisoindol-2-ylmethyl)-2,6-dimethoxyphenol.

Molecular Properties

Compound Name4-(1,3-dihydroisoindol-2-ylmethyl)-2,6-dimethoxyphenol
PubChem CID82958668
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name4-(1,3-dihydroisoindol-2-ylmethyl)-2,6-dimethoxyphenol
SMILESCOc1cc(CN2Cc3ccccc3C2)cc(OC)c1O
InChIInChI=1S/C17H19NO3/c1-20-15-7-12(8-16(21-2)17(15)19)9-18-10-13-5-3-4-6-14(13)11-18/h3-8,19H,9-11H2,1-2H3
InChIKeyAOWSKGVATQLFSY-UHFFFAOYSA-N
XLogP2.93
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-6-methoxyphenol
CID 2838540
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-iodo-6-methoxyphenol
CID 1375755
2,6-dimethoxy-4-[(4-phenylpiperazin-1-yl)methyl]phenol
CID 791376
[4-(1,3-dihydroisoindol-2-ylmethyl)-2-methoxyphenyl]methanamine
CID 106785461
4-[[4-[(2-bromophenyl)methyl]piperazin-1-yl]methyl]-2,6-dimethoxyphenol
CID 1131780
2,6-dimethoxy-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]phenol
CID 82981697
4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2-iodo-6-methoxyphenol
CID 1376220
4-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-2,6-dimethoxyphenol;oxalic acid
CID 2901135
4-[[4-(1,3-dihydroisoindol-2-ylmethyl)-2-methoxyphenoxy]methyl]-N,N-dimethylbenzamide
CID 168879327
4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-2,6-dimethoxyphenol
CID 1377032
2-bromo-6-methoxy-4-[(4-phenylpiperazin-1-yl)methyl]phenol
CID 1067956
2-[(3-ethoxy-4-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline
CID 765023

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dihydroisoindol-2-ylmethyl)-2,6-dimethoxyphenol?
The IUPAC name of 4-(1,3-dihydroisoindol-2-ylmethyl)-2,6-dimethoxyphenol (CID 82958668) is 4-(1,3-dihydroisoindol-2-ylmethyl)-2,6-dimethoxyphenol.
What is the SMILES notation for 4-(1,3-dihydroisoindol-2-ylmethyl)-2,6-dimethoxyphenol?
The canonical SMILES for 4-(1,3-dihydroisoindol-2-ylmethyl)-2,6-dimethoxyphenol is COc1cc(CN2Cc3ccccc3C2)cc(OC)c1O.
What is the InChIKey of 4-(1,3-dihydroisoindol-2-ylmethyl)-2,6-dimethoxyphenol?
The InChIKey is AOWSKGVATQLFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-20-15-7-12(8-16(21-2)17(15)19)9-18-10-13-5-3-4-6-14(13)11-18/h3-8,19H,9-11H2,1-2H3.
What are the key properties of 4-(1,3-dihydroisoindol-2-ylmethyl)-2,6-dimethoxyphenol?
4-(1,3-dihydroisoindol-2-ylmethyl)-2,6-dimethoxyphenol has a molecular weight of 285.34 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dihydroisoindol-2-ylmethyl)-2,6-dimethoxyphenol is sourced from PubChem (CID 82958668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).