4-(3,4-dihydroisoquinolin-1-ylmethoxy)phenol

C16H15NO2 — CID 15956592

IUPAC4-(3,4-dihydroisoquinolin-1-ylmethoxy)phenol
SMILESOc1ccc(OCC2=NCCc3ccccc32)cc1
InChIInChI=1S/C16H15NO2/c18-13-5-7-14(8-6-13)19-11-16-15-4-2-1-3-12(15)9-10-17-16/h1-8,18H,9-11H2
InChIKeyRWOOATMDXVWEFI-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.82
Rot. Bonds3

About 4-(3,4-dihydroisoquinolin-1-ylmethoxy)phenol

4-(3,4-dihydroisoquinolin-1-ylmethoxy)phenol (PubChem CID 15956592) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 4-(3,4-dihydroisoquinolin-1-ylmethoxy)phenol.

Molecular Properties

Compound Name4-(3,4-dihydroisoquinolin-1-ylmethoxy)phenol
PubChem CID15956592
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name4-(3,4-dihydroisoquinolin-1-ylmethoxy)phenol
SMILESOc1ccc(OCC2=NCCc3ccccc32)cc1
InChIInChI=1S/C16H15NO2/c18-13-5-7-14(8-6-13)19-11-16-15-4-2-1-3-12(15)9-10-17-16/h1-8,18H,9-11H2
InChIKeyRWOOATMDXVWEFI-UHFFFAOYSA-N
XLogP2.82
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydroisoquinolin-1-ylmethoxy)phenol?
The IUPAC name of 4-(3,4-dihydroisoquinolin-1-ylmethoxy)phenol (CID 15956592) is 4-(3,4-dihydroisoquinolin-1-ylmethoxy)phenol.
What is the SMILES notation for 4-(3,4-dihydroisoquinolin-1-ylmethoxy)phenol?
The canonical SMILES for 4-(3,4-dihydroisoquinolin-1-ylmethoxy)phenol is Oc1ccc(OCC2=NCCc3ccccc32)cc1.
What is the InChIKey of 4-(3,4-dihydroisoquinolin-1-ylmethoxy)phenol?
The InChIKey is RWOOATMDXVWEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c18-13-5-7-14(8-6-13)19-11-16-15-4-2-1-3-12(15)9-10-17-16/h1-8,18H,9-11H2.
What are the key properties of 4-(3,4-dihydroisoquinolin-1-ylmethoxy)phenol?
4-(3,4-dihydroisoquinolin-1-ylmethoxy)phenol has a molecular weight of 253.30 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydroisoquinolin-1-ylmethoxy)phenol is sourced from PubChem (CID 15956592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).