(4S)-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-ol

C20H19NO — CID 44546893

IUPAC(4S)-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-ol
SMILESCN1Cc2cc(O)ccc2[C@H](c2ccc3ccccc3c2)C1
InChIInChI=1S/C20H19NO/c1-21-12-17-11-18(22)8-9-19(17)20(13-21)16-7-6-14-4-2-3-5-15(14)10-16/h2-11,20,22H,12-13H2,1H3/t20-/m0/s1
InChIKeyMIYHYMAELOAKGI-FQEVSTJZSA-N
MW289.38 g/mol
LogP4.12
Rot. Bonds1

About (4S)-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-ol

(4S)-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-ol (PubChem CID 44546893) has the molecular formula C20H19NO and a molecular weight of 289.38 g/mol. Its IUPAC name is (4S)-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-ol.

Molecular Properties

Compound Name(4S)-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-ol
PubChem CID44546893
Molecular FormulaC20H19NO
Molecular Weight289.38 g/mol
Exact Mass289.15
IUPAC Name(4S)-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-ol
SMILESCN1Cc2cc(O)ccc2[C@H](c2ccc3ccccc3c2)C1
InChIInChI=1S/C20H19NO/c1-21-12-17-11-18(22)8-9-19(17)20(13-21)16-7-6-14-4-2-3-5-15(14)10-16/h2-11,20,22H,12-13H2,1H3/t20-/m0/s1
InChIKeyMIYHYMAELOAKGI-FQEVSTJZSA-N
XLogP4.12
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-ol?
The IUPAC name of (4S)-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-ol (CID 44546893) is (4S)-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-ol.
What is the SMILES notation for (4S)-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-ol?
The canonical SMILES for (4S)-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-ol is CN1Cc2cc(O)ccc2[C@H](c2ccc3ccccc3c2)C1.
What is the InChIKey of (4S)-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-ol?
The InChIKey is MIYHYMAELOAKGI-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H19NO/c1-21-12-17-11-18(22)8-9-19(17)20(13-21)16-7-6-14-4-2-3-5-15(14)10-16/h2-11,20,22H,12-13H2,1H3/t20-/m0/s1.
What are the key properties of (4S)-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-ol?
(4S)-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-ol has a molecular weight of 289.38 g/mol, XLogP of 4.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-ol is sourced from PubChem (CID 44546893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).