4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-methoxyphenol

C17H19NO2 — CID 764835

IUPAC4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-methoxyphenol
SMILESCOc1cc(CN2CCc3ccccc3C2)ccc1O
InChIInChI=1S/C17H19NO2/c1-20-17-10-13(6-7-16(17)19)11-18-9-8-14-4-2-3-5-15(14)12-18/h2-7,10,19H,8-9,11-12H2,1H3
InChIKeyBENCJXKELSLPQJ-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.96
Rot. Bonds3

About 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-methoxyphenol

4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-methoxyphenol (PubChem CID 764835) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-methoxyphenol.

Molecular Properties

Compound Name4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-methoxyphenol
PubChem CID764835
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-methoxyphenol
SMILESCOc1cc(CN2CCc3ccccc3C2)ccc1O
InChIInChI=1S/C17H19NO2/c1-20-17-10-13(6-7-16(17)19)11-18-9-8-14-4-2-3-5-15(14)12-18/h2-7,10,19H,8-9,11-12H2,1H3
InChIKeyBENCJXKELSLPQJ-UHFFFAOYSA-N
XLogP2.96
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-methoxyphenol?
The IUPAC name of 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-methoxyphenol (CID 764835) is 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-methoxyphenol.
What is the SMILES notation for 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-methoxyphenol?
The canonical SMILES for 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-methoxyphenol is COc1cc(CN2CCc3ccccc3C2)ccc1O.
What is the InChIKey of 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-methoxyphenol?
The InChIKey is BENCJXKELSLPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-20-17-10-13(6-7-16(17)19)11-18-9-8-14-4-2-3-5-15(14)12-18/h2-7,10,19H,8-9,11-12H2,1H3.
What are the key properties of 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-methoxyphenol?
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-methoxyphenol has a molecular weight of 269.34 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-methoxyphenol is sourced from PubChem (CID 764835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).