6-chloro-1-phenyl-1,2,3,4-tetrahydroisoquinolin-7-ol

C15H14ClNO — CID 14198588

IUPAC6-chloro-1-phenyl-1,2,3,4-tetrahydroisoquinolin-7-ol
SMILESOc1cc2c(cc1Cl)CCNC2c1ccccc1
InChIInChI=1S/C15H14ClNO/c16-13-8-11-6-7-17-15(12(11)9-14(13)18)10-4-2-1-3-5-10/h1-5,8-9,15,17-18H,6-7H2
InChIKeyVXQGSKLYCJFAKI-UHFFFAOYSA-N
MW259.74 g/mol
LogP3.28
Rot. Bonds1

About 6-chloro-1-phenyl-1,2,3,4-tetrahydroisoquinolin-7-ol

6-chloro-1-phenyl-1,2,3,4-tetrahydroisoquinolin-7-ol (PubChem CID 14198588) has the molecular formula C15H14ClNO and a molecular weight of 259.74 g/mol. Its IUPAC name is 6-chloro-1-phenyl-1,2,3,4-tetrahydroisoquinolin-7-ol.

Molecular Properties

Compound Name6-chloro-1-phenyl-1,2,3,4-tetrahydroisoquinolin-7-ol
PubChem CID14198588
Molecular FormulaC15H14ClNO
Molecular Weight259.74 g/mol
Exact Mass259.08
IUPAC Name6-chloro-1-phenyl-1,2,3,4-tetrahydroisoquinolin-7-ol
SMILESOc1cc2c(cc1Cl)CCNC2c1ccccc1
InChIInChI=1S/C15H14ClNO/c16-13-8-11-6-7-17-15(12(11)9-14(13)18)10-4-2-1-3-5-10/h1-5,8-9,15,17-18H,6-7H2
InChIKeyVXQGSKLYCJFAKI-UHFFFAOYSA-N
XLogP3.28
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-phenyl-1,2,3,4-tetrahydroisoquinolin-7-ol?
The IUPAC name of 6-chloro-1-phenyl-1,2,3,4-tetrahydroisoquinolin-7-ol (CID 14198588) is 6-chloro-1-phenyl-1,2,3,4-tetrahydroisoquinolin-7-ol.
What is the SMILES notation for 6-chloro-1-phenyl-1,2,3,4-tetrahydroisoquinolin-7-ol?
The canonical SMILES for 6-chloro-1-phenyl-1,2,3,4-tetrahydroisoquinolin-7-ol is Oc1cc2c(cc1Cl)CCNC2c1ccccc1.
What is the InChIKey of 6-chloro-1-phenyl-1,2,3,4-tetrahydroisoquinolin-7-ol?
The InChIKey is VXQGSKLYCJFAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO/c16-13-8-11-6-7-17-15(12(11)9-14(13)18)10-4-2-1-3-5-10/h1-5,8-9,15,17-18H,6-7H2.
What are the key properties of 6-chloro-1-phenyl-1,2,3,4-tetrahydroisoquinolin-7-ol?
6-chloro-1-phenyl-1,2,3,4-tetrahydroisoquinolin-7-ol has a molecular weight of 259.74 g/mol, XLogP of 3.28, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-phenyl-1,2,3,4-tetrahydroisoquinolin-7-ol is sourced from PubChem (CID 14198588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).