(2R)-1-[(4-chlorophenyl)methoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol

C19H22ClNO2 — CID 878733

IUPAC(2R)-1-[(4-chlorophenyl)methoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
SMILESO[C@@H](COCc1ccc(Cl)cc1)CN1CCc2ccccc2C1
InChIInChI=1S/C19H22ClNO2/c20-18-7-5-15(6-8-18)13-23-14-19(22)12-21-10-9-16-3-1-2-4-17(16)11-21/h1-8,19,22H,9-14H2/t19-/m1/s1
InChIKeyXFPRVFPKQLFJBJ-LJQANCHMSA-N
MW331.84 g/mol
LogP3.28
Rot. Bonds6

About (2R)-1-[(4-chlorophenyl)methoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol

(2R)-1-[(4-chlorophenyl)methoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol (PubChem CID 878733) has the molecular formula C19H22ClNO2 and a molecular weight of 331.84 g/mol. Its IUPAC name is (2R)-1-[(4-chlorophenyl)methoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(4-chlorophenyl)methoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
PubChem CID878733
Molecular FormulaC19H22ClNO2
Molecular Weight331.84 g/mol
Exact Mass331.13
IUPAC Name(2R)-1-[(4-chlorophenyl)methoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
SMILESO[C@@H](COCc1ccc(Cl)cc1)CN1CCc2ccccc2C1
InChIInChI=1S/C19H22ClNO2/c20-18-7-5-15(6-8-18)13-23-14-19(22)12-21-10-9-16-3-1-2-4-17(16)11-21/h1-8,19,22H,9-14H2/t19-/m1/s1
InChIKeyXFPRVFPKQLFJBJ-LJQANCHMSA-N
XLogP3.28
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.84
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-1-[(4-chlorophenyl)methoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol with MolForge

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Related Compounds

4-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]methyl]phenol
CID 129062379
1-(4-benzylpiperazin-1-yl)-3-[(4-chlorophenyl)methoxy]propan-2-ol dichloride
CID 21237584
(2R)-1-[(4-chlorophenyl)methoxy]-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 1227221
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-ethylphenoxy)propan-2-ol
CID 4084169
1-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-3-phenylmethoxypropan-2-ol
CID 56780820
1-[(2S)-2-hydroxy-3-phenylmethoxypropyl]piperidin-4-one
CID 95357977
(2R)-1-[2-(1-adamantyl)ethoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
CID 7482174
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(1-ethylimidazol-2-yl)methoxy]propan-2-ol
CID 90335262
1-ethoxy-3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-ol
CID 63933575
(2S)-1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol
CID 740501
1-[(2S)-3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]piperidine-4-carboxamide
CID 39981125
(2R)-1-[(4-chlorophenyl)methoxy]-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 1364925

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(4-chlorophenyl)methoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol?
The IUPAC name of (2R)-1-[(4-chlorophenyl)methoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol (CID 878733) is (2R)-1-[(4-chlorophenyl)methoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol.
What is the SMILES notation for (2R)-1-[(4-chlorophenyl)methoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol?
The canonical SMILES for (2R)-1-[(4-chlorophenyl)methoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol is O[C@@H](COCc1ccc(Cl)cc1)CN1CCc2ccccc2C1.
What is the InChIKey of (2R)-1-[(4-chlorophenyl)methoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol?
The InChIKey is XFPRVFPKQLFJBJ-LJQANCHMSA-N. The full InChI is InChI=1S/C19H22ClNO2/c20-18-7-5-15(6-8-18)13-23-14-19(22)12-21-10-9-16-3-1-2-4-17(16)11-21/h1-8,19,22H,9-14H2/t19-/m1/s1.
What are the key properties of (2R)-1-[(4-chlorophenyl)methoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol?
(2R)-1-[(4-chlorophenyl)methoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol has a molecular weight of 331.84 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(4-chlorophenyl)methoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol is sourced from PubChem (CID 878733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).