1-[3-(quinolin-2-ylmethoxy)phenyl]hexane-1,2-diol

C22H25NO3 — CID 21280540

IUPAC1-[3-(quinolin-2-ylmethoxy)phenyl]hexane-1,2-diol
SMILESCCCCC(O)C(O)c1cccc(OCc2ccc3ccccc3n2)c1
InChIInChI=1S/C22H25NO3/c1-2-3-11-21(24)22(25)17-8-6-9-19(14-17)26-15-18-13-12-16-7-4-5-10-20(16)23-18/h4-10,12-14,21-22,24-25H,2-3,11,15H2,1H3
InChIKeyBDUMOXBIOZWSAM-UHFFFAOYSA-N
MW351.45 g/mol
LogP4.40
Rot. Bonds8

About 1-[3-(quinolin-2-ylmethoxy)phenyl]hexane-1,2-diol

1-[3-(quinolin-2-ylmethoxy)phenyl]hexane-1,2-diol (PubChem CID 21280540) has the molecular formula C22H25NO3 and a molecular weight of 351.45 g/mol. Its IUPAC name is 1-[3-(quinolin-2-ylmethoxy)phenyl]hexane-1,2-diol.

Molecular Properties

Compound Name1-[3-(quinolin-2-ylmethoxy)phenyl]hexane-1,2-diol
PubChem CID21280540
Molecular FormulaC22H25NO3
Molecular Weight351.45 g/mol
Exact Mass351.18
IUPAC Name1-[3-(quinolin-2-ylmethoxy)phenyl]hexane-1,2-diol
SMILESCCCCC(O)C(O)c1cccc(OCc2ccc3ccccc3n2)c1
InChIInChI=1S/C22H25NO3/c1-2-3-11-21(24)22(25)17-8-6-9-19(14-17)26-15-18-13-12-16-7-4-5-10-20(16)23-18/h4-10,12-14,21-22,24-25H,2-3,11,15H2,1H3
InChIKeyBDUMOXBIOZWSAM-UHFFFAOYSA-N
XLogP4.40
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-[3-(quinolin-2-ylmethoxy)phenyl]hexan-1-ol
CID 14349128
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
2-methyl-1-(3-phenylmethoxyphenyl)hexan-1-ol
CID 21288530
2-[[3-[1-phenyl-5-(2H-tetrazol-5-yl)pentan-2-yl]phenoxy]methyl]quinoline
CID 14750528
(2S)-2-phenyl-2-[3-(quinolin-2-ylmethoxy)anilino]acetic acid
CID 57268488

Frequently Asked Questions

What is the IUPAC name of 1-[3-(quinolin-2-ylmethoxy)phenyl]hexane-1,2-diol?
The IUPAC name of 1-[3-(quinolin-2-ylmethoxy)phenyl]hexane-1,2-diol (CID 21280540) is 1-[3-(quinolin-2-ylmethoxy)phenyl]hexane-1,2-diol.
What is the SMILES notation for 1-[3-(quinolin-2-ylmethoxy)phenyl]hexane-1,2-diol?
The canonical SMILES for 1-[3-(quinolin-2-ylmethoxy)phenyl]hexane-1,2-diol is CCCCC(O)C(O)c1cccc(OCc2ccc3ccccc3n2)c1.
What is the InChIKey of 1-[3-(quinolin-2-ylmethoxy)phenyl]hexane-1,2-diol?
The InChIKey is BDUMOXBIOZWSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO3/c1-2-3-11-21(24)22(25)17-8-6-9-19(14-17)26-15-18-13-12-16-7-4-5-10-20(16)23-18/h4-10,12-14,21-22,24-25H,2-3,11,15H2,1H3.
What are the key properties of 1-[3-(quinolin-2-ylmethoxy)phenyl]hexane-1,2-diol?
1-[3-(quinolin-2-ylmethoxy)phenyl]hexane-1,2-diol has a molecular weight of 351.45 g/mol, XLogP of 4.40, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(quinolin-2-ylmethoxy)phenyl]hexane-1,2-diol is sourced from PubChem (CID 21280540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).