4-(3-hydroxyphenyl)-8-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol

C16H17NO2 — CID 139788332

IUPAC4-(3-hydroxyphenyl)-8-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol
SMILESCc1c(O)ccc2c1CNCC2c1cccc(O)c1
InChIInChI=1S/C16H17NO2/c1-10-14-8-17-9-15(13(14)5-6-16(10)19)11-3-2-4-12(18)7-11/h2-7,15,17-19H,8-9H2,1H3
InChIKeyQQWLHKLVOIVPGC-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.64
Rot. Bonds1

About 4-(3-hydroxyphenyl)-8-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol

4-(3-hydroxyphenyl)-8-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol (PubChem CID 139788332) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 4-(3-hydroxyphenyl)-8-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol.

Molecular Properties

Compound Name4-(3-hydroxyphenyl)-8-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol
PubChem CID139788332
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name4-(3-hydroxyphenyl)-8-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol
SMILESCc1c(O)ccc2c1CNCC2c1cccc(O)c1
InChIInChI=1S/C16H17NO2/c1-10-14-8-17-9-15(13(14)5-6-16(10)19)11-3-2-4-12(18)7-11/h2-7,15,17-19H,8-9H2,1H3
InChIKeyQQWLHKLVOIVPGC-UHFFFAOYSA-N
XLogP2.64
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxyphenyl)-8-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol?
The IUPAC name of 4-(3-hydroxyphenyl)-8-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol (CID 139788332) is 4-(3-hydroxyphenyl)-8-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol.
What is the SMILES notation for 4-(3-hydroxyphenyl)-8-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol?
The canonical SMILES for 4-(3-hydroxyphenyl)-8-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol is Cc1c(O)ccc2c1CNCC2c1cccc(O)c1.
What is the InChIKey of 4-(3-hydroxyphenyl)-8-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol?
The InChIKey is QQWLHKLVOIVPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-10-14-8-17-9-15(13(14)5-6-16(10)19)11-3-2-4-12(18)7-11/h2-7,15,17-19H,8-9H2,1H3.
What are the key properties of 4-(3-hydroxyphenyl)-8-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol?
4-(3-hydroxyphenyl)-8-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol has a molecular weight of 255.32 g/mol, XLogP of 2.64, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxyphenyl)-8-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol is sourced from PubChem (CID 139788332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).