4-[[(1R)-6-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]phenol

C17H19NO — CID 96995480

IUPAC4-[[(1R)-6-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]phenol
SMILESCc1ccc2c(c1)CCN[C@@H]2Cc1ccc(O)cc1
InChIInChI=1S/C17H19NO/c1-12-2-7-16-14(10-12)8-9-18-17(16)11-13-3-5-15(19)6-4-13/h2-7,10,17-19H,8-9,11H2,1H3/t17-/m1/s1
InChIKeyIFMIWUTVEYDCFV-QGZVFWFLSA-N
MW253.35 g/mol
LogP3.13
Rot. Bonds2

About 4-[[(1R)-6-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]phenol

4-[[(1R)-6-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]phenol (PubChem CID 96995480) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is 4-[[(1R)-6-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]phenol.

Molecular Properties

Compound Name4-[[(1R)-6-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]phenol
PubChem CID96995480
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name4-[[(1R)-6-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]phenol
SMILESCc1ccc2c(c1)CCN[C@@H]2Cc1ccc(O)cc1
InChIInChI=1S/C17H19NO/c1-12-2-7-16-14(10-12)8-9-18-17(16)11-13-3-5-15(19)6-4-13/h2-7,10,17-19H,8-9,11H2,1H3/t17-/m1/s1
InChIKeyIFMIWUTVEYDCFV-QGZVFWFLSA-N
XLogP3.13
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[(1S)-6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]phenol
CID 96977662
hydron;1-[(4-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol;chloride
CID 91827708
6-methoxy-1-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 143954648
4-[[(1S)-7-ethoxy-6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]phenol
CID 95988928
(1S)-1-[(3,5-dibromo-4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 10118674
(1R)-1-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 96972794
methyl 2-(6-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate
CID 105474196
1-[(3,5-dimethylphenyl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 106777888
1-[(3-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol
CID 22298077
4-[(6,7-dimethoxy-8-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]phenol
CID 2752182
(1R)-6,7-dimethoxy-1-[[6-[2-methoxy-4-[[(1R)-6-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]phenoxy]-3-pyridinyl]methyl]-1,2,3,4-tetrahydroisoquinoline
CID 161092913
(1R)-7-methoxy-1-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 7055406

Frequently Asked Questions

What is the IUPAC name of 4-[[(1R)-6-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]phenol?
The IUPAC name of 4-[[(1R)-6-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]phenol (CID 96995480) is 4-[[(1R)-6-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]phenol.
What is the SMILES notation for 4-[[(1R)-6-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]phenol?
The canonical SMILES for 4-[[(1R)-6-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]phenol is Cc1ccc2c(c1)CCN[C@@H]2Cc1ccc(O)cc1.
What is the InChIKey of 4-[[(1R)-6-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]phenol?
The InChIKey is IFMIWUTVEYDCFV-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H19NO/c1-12-2-7-16-14(10-12)8-9-18-17(16)11-13-3-5-15(19)6-4-13/h2-7,10,17-19H,8-9,11H2,1H3/t17-/m1/s1.
What are the key properties of 4-[[(1R)-6-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]phenol?
4-[[(1R)-6-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]phenol has a molecular weight of 253.35 g/mol, XLogP of 3.13, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1R)-6-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]phenol is sourced from PubChem (CID 96995480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).