4-methyl-2-(1,2,3,4-tetrahydroisoquinolin-5-yl)phenol

C16H17NO — CID 56862165

IUPAC4-methyl-2-(1,2,3,4-tetrahydroisoquinolin-5-yl)phenol
SMILESCc1ccc(O)c(-c2cccc3c2CCNC3)c1
InChIInChI=1S/C16H17NO/c1-11-5-6-16(18)15(9-11)14-4-2-3-12-10-17-8-7-13(12)14/h2-6,9,17-18H,7-8,10H2,1H3
InChIKeyVPYZLAZWFSSNCD-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.01
Rot. Bonds1

About 4-methyl-2-(1,2,3,4-tetrahydroisoquinolin-5-yl)phenol

4-methyl-2-(1,2,3,4-tetrahydroisoquinolin-5-yl)phenol (PubChem CID 56862165) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 4-methyl-2-(1,2,3,4-tetrahydroisoquinolin-5-yl)phenol.

Molecular Properties

Compound Name4-methyl-2-(1,2,3,4-tetrahydroisoquinolin-5-yl)phenol
PubChem CID56862165
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name4-methyl-2-(1,2,3,4-tetrahydroisoquinolin-5-yl)phenol
SMILESCc1ccc(O)c(-c2cccc3c2CCNC3)c1
InChIInChI=1S/C16H17NO/c1-11-5-6-16(18)15(9-11)14-4-2-3-12-10-17-8-7-13(12)14/h2-6,9,17-18H,7-8,10H2,1H3
InChIKeyVPYZLAZWFSSNCD-UHFFFAOYSA-N
XLogP3.01
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(1,2,3,4-tetrahydroisoquinolin-5-yl)phenol?
The IUPAC name of 4-methyl-2-(1,2,3,4-tetrahydroisoquinolin-5-yl)phenol (CID 56862165) is 4-methyl-2-(1,2,3,4-tetrahydroisoquinolin-5-yl)phenol.
What is the SMILES notation for 4-methyl-2-(1,2,3,4-tetrahydroisoquinolin-5-yl)phenol?
The canonical SMILES for 4-methyl-2-(1,2,3,4-tetrahydroisoquinolin-5-yl)phenol is Cc1ccc(O)c(-c2cccc3c2CCNC3)c1.
What is the InChIKey of 4-methyl-2-(1,2,3,4-tetrahydroisoquinolin-5-yl)phenol?
The InChIKey is VPYZLAZWFSSNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-11-5-6-16(18)15(9-11)14-4-2-3-12-10-17-8-7-13(12)14/h2-6,9,17-18H,7-8,10H2,1H3.
What are the key properties of 4-methyl-2-(1,2,3,4-tetrahydroisoquinolin-5-yl)phenol?
4-methyl-2-(1,2,3,4-tetrahydroisoquinolin-5-yl)phenol has a molecular weight of 239.32 g/mol, XLogP of 3.01, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(1,2,3,4-tetrahydroisoquinolin-5-yl)phenol is sourced from PubChem (CID 56862165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).