2-methyl-1-[3-(quinolin-2-ylmethoxy)phenyl]hexan-1-ol

C23H27NO2 — CID 14349128

IUPAC2-methyl-1-[3-(quinolin-2-ylmethoxy)phenyl]hexan-1-ol
SMILESCCCCC(C)C(O)c1cccc(OCc2ccc3ccccc3n2)c1
InChIInChI=1S/C23H27NO2/c1-3-4-8-17(2)23(25)19-10-7-11-21(15-19)26-16-20-14-13-18-9-5-6-12-22(18)24-20/h5-7,9-15,17,23,25H,3-4,8,16H2,1-2H3
InChIKeyCTQMCZUHPABXNZ-UHFFFAOYSA-N
MW349.47 g/mol
LogP5.67
Rot. Bonds8

About 2-methyl-1-[3-(quinolin-2-ylmethoxy)phenyl]hexan-1-ol

2-methyl-1-[3-(quinolin-2-ylmethoxy)phenyl]hexan-1-ol (PubChem CID 14349128) has the molecular formula C23H27NO2 and a molecular weight of 349.47 g/mol. Its IUPAC name is 2-methyl-1-[3-(quinolin-2-ylmethoxy)phenyl]hexan-1-ol.

Molecular Properties

Compound Name2-methyl-1-[3-(quinolin-2-ylmethoxy)phenyl]hexan-1-ol
PubChem CID14349128
Molecular FormulaC23H27NO2
Molecular Weight349.47 g/mol
Exact Mass349.20
IUPAC Name2-methyl-1-[3-(quinolin-2-ylmethoxy)phenyl]hexan-1-ol
SMILESCCCCC(C)C(O)c1cccc(OCc2ccc3ccccc3n2)c1
InChIInChI=1S/C23H27NO2/c1-3-4-8-17(2)23(25)19-10-7-11-21(15-19)26-16-20-14-13-18-9-5-6-12-22(18)24-20/h5-7,9-15,17,23,25H,3-4,8,16H2,1-2H3
InChIKeyCTQMCZUHPABXNZ-UHFFFAOYSA-N
XLogP5.67
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.47
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(quinolin-2-ylmethoxy)phenyl]hexane-1,2-diol
CID 21280540
2-methyl-1-(3-phenylmethoxyphenyl)hexan-1-ol
CID 21288530
6-(3-chlorophenoxy)-1-[3-(quinolin-2-ylmethoxy)phenyl]hexan-1-ol
CID 14349139
2-[(3-hexylphenoxy)methyl]quinoline
CID 14349142
1-[3-(quinolin-2-ylmethoxy)phenyl]-6-[3-(trifluoromethyl)phenoxy]hexan-1-ol
CID 21280483
1-[(2R)-2-hydroxy-2-[3-(quinolin-2-ylmethoxy)phenyl]ethyl]-3-methylurea
CID 14675600
2-[methyl(prop-2-ynyl)amino]-1-[3-(quinolin-2-ylmethoxy)phenyl]ethanol
CID 14675604
2-[[3-[(2-ethylphenyl)methoxy]phenoxy]methyl]quinoline
CID 18727386
[3-(quinolin-2-ylmethoxy)phenyl]boronic acid
CID 43327889
O-[1-[4-(quinolin-2-ylmethoxy)phenyl]nonyl]hydroxylamine
CID 10786723
(2S)-2-phenyl-2-[3-(quinolin-2-ylmethoxy)anilino]acetic acid
CID 57268488
2-[[3-(bromomethyl)phenoxy]methyl]quinoline
CID 43324683

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[3-(quinolin-2-ylmethoxy)phenyl]hexan-1-ol?
The IUPAC name of 2-methyl-1-[3-(quinolin-2-ylmethoxy)phenyl]hexan-1-ol (CID 14349128) is 2-methyl-1-[3-(quinolin-2-ylmethoxy)phenyl]hexan-1-ol.
What is the SMILES notation for 2-methyl-1-[3-(quinolin-2-ylmethoxy)phenyl]hexan-1-ol?
The canonical SMILES for 2-methyl-1-[3-(quinolin-2-ylmethoxy)phenyl]hexan-1-ol is CCCCC(C)C(O)c1cccc(OCc2ccc3ccccc3n2)c1.
What is the InChIKey of 2-methyl-1-[3-(quinolin-2-ylmethoxy)phenyl]hexan-1-ol?
The InChIKey is CTQMCZUHPABXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO2/c1-3-4-8-17(2)23(25)19-10-7-11-21(15-19)26-16-20-14-13-18-9-5-6-12-22(18)24-20/h5-7,9-15,17,23,25H,3-4,8,16H2,1-2H3.
What are the key properties of 2-methyl-1-[3-(quinolin-2-ylmethoxy)phenyl]hexan-1-ol?
2-methyl-1-[3-(quinolin-2-ylmethoxy)phenyl]hexan-1-ol has a molecular weight of 349.47 g/mol, XLogP of 5.67, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[3-(quinolin-2-ylmethoxy)phenyl]hexan-1-ol is sourced from PubChem (CID 14349128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).