2-(hydroxymethyl)-5-[[6-(hydroxymethyl)-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenol

C19H23NO3 — CID 58202465

IUPAC2-(hydroxymethyl)-5-[[6-(hydroxymethyl)-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenol
SMILESCN1CCc2cc(CO)ccc2C1Cc1ccc(CO)c(O)c1
InChIInChI=1S/C19H23NO3/c1-20-7-6-15-8-14(11-21)3-5-17(15)18(20)9-13-2-4-16(12-22)19(23)10-13/h2-5,8,10,18,21-23H,6-7,9,11-12H2,1H3
InChIKeyQEBVQIQAPSBYIE-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.15
Rot. Bonds4

About 2-(hydroxymethyl)-5-[[6-(hydroxymethyl)-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenol

2-(hydroxymethyl)-5-[[6-(hydroxymethyl)-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenol (PubChem CID 58202465) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-(hydroxymethyl)-5-[[6-(hydroxymethyl)-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenol.

Molecular Properties

Compound Name2-(hydroxymethyl)-5-[[6-(hydroxymethyl)-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenol
PubChem CID58202465
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name2-(hydroxymethyl)-5-[[6-(hydroxymethyl)-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenol
SMILESCN1CCc2cc(CO)ccc2C1Cc1ccc(CO)c(O)c1
InChIInChI=1S/C19H23NO3/c1-20-7-6-15-8-14(11-21)3-5-17(15)18(20)9-13-2-4-16(12-22)19(23)10-13/h2-5,8,10,18,21-23H,6-7,9,11-12H2,1H3
InChIKeyQEBVQIQAPSBYIE-UHFFFAOYSA-N
XLogP2.15
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(hydroxymethyl)-5-[[6-(hydroxymethyl)-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenol with MolForge

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Related Compounds

ethane;1-[[3-hydroxy-4-(hydroxymethyl)phenyl]methyl]-6-(hydroxymethyl)-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-7-ol;1-[[3-hydroxy-4-(hydroxymethyl)phenyl]methyl]-6-(hydroxymethyl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
CID 159180712
1-[[4-[2-hydroxy-5-(hydroxymethyl)phenoxy]phenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
CID 163034539
4-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-[5-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-hydroxyphenyl]phenol
CID 102154059
(1R)-6-methoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinoline
CID 163017135
1-[(3,4-dimethylphenyl)methyl]-2,6,7-trimethyl-3,4-dihydro-1H-isoquinoline
CID 134596241
(1S)-1-[[4-[5-[[(1R)-7-hydroxy-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methoxyphenoxy]phenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
CID 10031670
4-[[(5R)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]methyl]phenol
CID 22294346
1-[[4-[2-hydroxy-5-[(6-hydroxy-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]phenoxy]phenyl]methyl]-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-6-ol
CID 78384735
(1R)-1-[[4-[5-[[(1S)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-hydroxyphenoxy]phenyl]methyl]-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-6-ol
CID 163093188
(1R)-1-[[4-[5-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]-2-hydroxyphenoxy]phenyl]methyl]-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-6-ol
CID 5316322
1-[[3-[2-[(7-hydroxy-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]-4,5-dimethoxyphenoxy]-4-methoxyphenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
CID 162952977
4-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-[4-[[(1R)-6-ethoxy-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]phenol
CID 138744251

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-5-[[6-(hydroxymethyl)-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenol?
The IUPAC name of 2-(hydroxymethyl)-5-[[6-(hydroxymethyl)-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenol (CID 58202465) is 2-(hydroxymethyl)-5-[[6-(hydroxymethyl)-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenol.
What is the SMILES notation for 2-(hydroxymethyl)-5-[[6-(hydroxymethyl)-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenol?
The canonical SMILES for 2-(hydroxymethyl)-5-[[6-(hydroxymethyl)-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenol is CN1CCc2cc(CO)ccc2C1Cc1ccc(CO)c(O)c1.
What is the InChIKey of 2-(hydroxymethyl)-5-[[6-(hydroxymethyl)-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenol?
The InChIKey is QEBVQIQAPSBYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-20-7-6-15-8-14(11-21)3-5-17(15)18(20)9-13-2-4-16(12-22)19(23)10-13/h2-5,8,10,18,21-23H,6-7,9,11-12H2,1H3.
What are the key properties of 2-(hydroxymethyl)-5-[[6-(hydroxymethyl)-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenol?
2-(hydroxymethyl)-5-[[6-(hydroxymethyl)-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenol has a molecular weight of 313.40 g/mol, XLogP of 2.15, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-5-[[6-(hydroxymethyl)-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenol is sourced from PubChem (CID 58202465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).