[2-chloro-6-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]methanol

C16H16ClNO — CID 28945706

IUPAC[2-chloro-6-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]methanol
SMILESOCc1c(Cl)cccc1N1CCc2ccccc2C1
InChIInChI=1S/C16H16ClNO/c17-15-6-3-7-16(14(15)11-19)18-9-8-12-4-1-2-5-13(12)10-18/h1-7,19H,8-11H2
InChIKeyFXHZRHSOUMSOJM-UHFFFAOYSA-N
MW273.76 g/mol
LogP3.39
Rot. Bonds2

About [2-chloro-6-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]methanol

[2-chloro-6-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]methanol (PubChem CID 28945706) has the molecular formula C16H16ClNO and a molecular weight of 273.76 g/mol. Its IUPAC name is [2-chloro-6-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]methanol.

Molecular Properties

Compound Name[2-chloro-6-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]methanol
PubChem CID28945706
Molecular FormulaC16H16ClNO
Molecular Weight273.76 g/mol
Exact Mass273.09
IUPAC Name[2-chloro-6-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]methanol
SMILESOCc1c(Cl)cccc1N1CCc2ccccc2C1
InChIInChI=1S/C16H16ClNO/c17-15-6-3-7-16(14(15)11-19)18-9-8-12-4-1-2-5-13(12)10-18/h1-7,19H,8-11H2
InChIKeyFXHZRHSOUMSOJM-UHFFFAOYSA-N
XLogP3.39
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-chloro-6-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]methanol?
The IUPAC name of [2-chloro-6-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]methanol (CID 28945706) is [2-chloro-6-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]methanol.
What is the SMILES notation for [2-chloro-6-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]methanol?
The canonical SMILES for [2-chloro-6-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]methanol is OCc1c(Cl)cccc1N1CCc2ccccc2C1.
What is the InChIKey of [2-chloro-6-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]methanol?
The InChIKey is FXHZRHSOUMSOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO/c17-15-6-3-7-16(14(15)11-19)18-9-8-12-4-1-2-5-13(12)10-18/h1-7,19H,8-11H2.
What are the key properties of [2-chloro-6-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]methanol?
[2-chloro-6-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]methanol has a molecular weight of 273.76 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-6-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]methanol is sourced from PubChem (CID 28945706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).