(1R)-1-(4-chlorophenyl)-2-isoquinolin-7-yloxyethanol

C17H14ClNO2 — CID 167764455

IUPAC(1R)-1-(4-chlorophenyl)-2-isoquinolin-7-yloxyethanol
SMILESO[C@@H](COc1ccc2ccncc2c1)c1ccc(Cl)cc1
InChIInChI=1S/C17H14ClNO2/c18-15-4-1-13(2-5-15)17(20)11-21-16-6-3-12-7-8-19-10-14(12)9-16/h1-10,17,20H,11H2/t17-/m0/s1
InChIKeyHVFDCAAOTIXNFY-KRWDZBQOSA-N
MW299.76 g/mol
LogP4.00
Rot. Bonds4

About (1R)-1-(4-chlorophenyl)-2-isoquinolin-7-yloxyethanol

(1R)-1-(4-chlorophenyl)-2-isoquinolin-7-yloxyethanol (PubChem CID 167764455) has the molecular formula C17H14ClNO2 and a molecular weight of 299.76 g/mol. Its IUPAC name is (1R)-1-(4-chlorophenyl)-2-isoquinolin-7-yloxyethanol.

Molecular Properties

Compound Name(1R)-1-(4-chlorophenyl)-2-isoquinolin-7-yloxyethanol
PubChem CID167764455
Molecular FormulaC17H14ClNO2
Molecular Weight299.76 g/mol
Exact Mass299.07
IUPAC Name(1R)-1-(4-chlorophenyl)-2-isoquinolin-7-yloxyethanol
SMILESO[C@@H](COc1ccc2ccncc2c1)c1ccc(Cl)cc1
InChIInChI=1S/C17H14ClNO2/c18-15-4-1-13(2-5-15)17(20)11-21-16-6-3-12-7-8-19-10-14(12)9-16/h1-10,17,20H,11H2/t17-/m0/s1
InChIKeyHVFDCAAOTIXNFY-KRWDZBQOSA-N
XLogP4.00
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-3-naphthalen-2-yloxypropan-1-ol
CID 54113844
chloro(isoquinolin-7-yl)methanol
CID 174413098
2-(4-chlorophenoxy)-1-(3,4-dimethylphenyl)ethanol
CID 105091612
1-isoquinolin-7-yloxypropan-2-one
CID 82580297
4-[2-(3-chlorophenoxy)-1-hydroxyethyl]phenol
CID 117244629
1-(4-aminophenyl)-2-(3-chloro-4-fluorophenoxy)ethanol
CID 63877954
1-(4-aminophenyl)-2-[(5-chloro-3-pyridinyl)oxy]ethanol
CID 64601162
2-(3-chlorophenoxy)-1-(4-propan-2-yloxyphenyl)ethanol
CID 105095527
tert-butyl N-[2-[4-(2-hydroxy-2-phenylethoxy)phenyl]-3-(isoquinolin-6-ylamino)-3-oxopropyl]carbamate
CID 59563789
2-(3-chlorophenoxy)-1-(3-chlorophenyl)ethanol
CID 115766354
2-(3-chlorophenoxy)-1-(5-ethoxy-3-pyridinyl)ethanol
CID 105121340
2-(4-aminophenoxy)-1-(4-propan-2-ylphenyl)ethanol
CID 46307232

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-chlorophenyl)-2-isoquinolin-7-yloxyethanol?
The IUPAC name of (1R)-1-(4-chlorophenyl)-2-isoquinolin-7-yloxyethanol (CID 167764455) is (1R)-1-(4-chlorophenyl)-2-isoquinolin-7-yloxyethanol.
What is the SMILES notation for (1R)-1-(4-chlorophenyl)-2-isoquinolin-7-yloxyethanol?
The canonical SMILES for (1R)-1-(4-chlorophenyl)-2-isoquinolin-7-yloxyethanol is O[C@@H](COc1ccc2ccncc2c1)c1ccc(Cl)cc1.
What is the InChIKey of (1R)-1-(4-chlorophenyl)-2-isoquinolin-7-yloxyethanol?
The InChIKey is HVFDCAAOTIXNFY-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H14ClNO2/c18-15-4-1-13(2-5-15)17(20)11-21-16-6-3-12-7-8-19-10-14(12)9-16/h1-10,17,20H,11H2/t17-/m0/s1.
What are the key properties of (1R)-1-(4-chlorophenyl)-2-isoquinolin-7-yloxyethanol?
(1R)-1-(4-chlorophenyl)-2-isoquinolin-7-yloxyethanol has a molecular weight of 299.76 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-chlorophenyl)-2-isoquinolin-7-yloxyethanol is sourced from PubChem (CID 167764455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).