(3R)-4-[(4-methoxyphenyl)methoxy]-3-quinolin-4-ylbutan-1-ol

C21H23NO3 — CID 46242764

IUPAC(3R)-4-[(4-methoxyphenyl)methoxy]-3-quinolin-4-ylbutan-1-ol
SMILESCOc1ccc(COC[C@H](CCO)c2ccnc3ccccc23)cc1
InChIInChI=1S/C21H23NO3/c1-24-18-8-6-16(7-9-18)14-25-15-17(11-13-23)19-10-12-22-21-5-3-2-4-20(19)21/h2-10,12,17,23H,11,13-15H2,1H3/t17-/m0/s1
InChIKeyICQVRIOTMXQXSU-KRWDZBQOSA-N
MW337.42 g/mol
LogP3.93
Rot. Bonds8

About (3R)-4-[(4-methoxyphenyl)methoxy]-3-quinolin-4-ylbutan-1-ol

(3R)-4-[(4-methoxyphenyl)methoxy]-3-quinolin-4-ylbutan-1-ol (PubChem CID 46242764) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is (3R)-4-[(4-methoxyphenyl)methoxy]-3-quinolin-4-ylbutan-1-ol.

Molecular Properties

Compound Name(3R)-4-[(4-methoxyphenyl)methoxy]-3-quinolin-4-ylbutan-1-ol
PubChem CID46242764
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC Name(3R)-4-[(4-methoxyphenyl)methoxy]-3-quinolin-4-ylbutan-1-ol
SMILESCOc1ccc(COC[C@H](CCO)c2ccnc3ccccc23)cc1
InChIInChI=1S/C21H23NO3/c1-24-18-8-6-16(7-9-18)14-25-15-17(11-13-23)19-10-12-22-21-5-3-2-4-20(19)21/h2-10,12,17,23H,11,13-15H2,1H3/t17-/m0/s1
InChIKeyICQVRIOTMXQXSU-KRWDZBQOSA-N
XLogP3.93
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]quinoline
CID 101225563
4-[1-(4-methoxyphenoxy)propan-2-yl]quinoline
CID 100926215
(4-methoxyphenyl)-quinolin-4-ylmethanol
CID 63893984
4-[(4-methoxyphenyl)methoxy]butane-1,3-diol
CID 44629983
(2R)-3-[(4-methoxyphenyl)methoxy]-2-phenylpropan-1-ol
CID 101173435
1-(4-methoxyphenyl)-N-methyl-1-quinolin-4-ylmethanamine
CID 105095031
(3S,5R)-6-[(4-methoxyphenyl)methoxy]-3,5-dimethylhexan-1-ol
CID 11219333
2-(4-methoxyphenyl)-1-quinolin-5-ylethanamine
CID 81227594
1-(4-methoxyphenyl)-N-(quinolin-4-ylmethyl)methanamine
CID 63850040
1-[4-[(4-methoxyphenyl)methoxy]phenyl]-2-quinolin-4-ylsulfanylethanone
CID 18790583
(2R,3S)-1-[(4-methoxyphenyl)methoxy]-4-(naphthalen-2-ylmethoxy)butane-2,3-diol
CID 100966821
3-amino-2-quinolin-4-ylpropan-1-ol
CID 63215939

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[(4-methoxyphenyl)methoxy]-3-quinolin-4-ylbutan-1-ol?
The IUPAC name of (3R)-4-[(4-methoxyphenyl)methoxy]-3-quinolin-4-ylbutan-1-ol (CID 46242764) is (3R)-4-[(4-methoxyphenyl)methoxy]-3-quinolin-4-ylbutan-1-ol.
What is the SMILES notation for (3R)-4-[(4-methoxyphenyl)methoxy]-3-quinolin-4-ylbutan-1-ol?
The canonical SMILES for (3R)-4-[(4-methoxyphenyl)methoxy]-3-quinolin-4-ylbutan-1-ol is COc1ccc(COC[C@H](CCO)c2ccnc3ccccc23)cc1.
What is the InChIKey of (3R)-4-[(4-methoxyphenyl)methoxy]-3-quinolin-4-ylbutan-1-ol?
The InChIKey is ICQVRIOTMXQXSU-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H23NO3/c1-24-18-8-6-16(7-9-18)14-25-15-17(11-13-23)19-10-12-22-21-5-3-2-4-20(19)21/h2-10,12,17,23H,11,13-15H2,1H3/t17-/m0/s1.
What are the key properties of (3R)-4-[(4-methoxyphenyl)methoxy]-3-quinolin-4-ylbutan-1-ol?
(3R)-4-[(4-methoxyphenyl)methoxy]-3-quinolin-4-ylbutan-1-ol has a molecular weight of 337.42 g/mol, XLogP of 3.93, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[(4-methoxyphenyl)methoxy]-3-quinolin-4-ylbutan-1-ol is sourced from PubChem (CID 46242764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).