6-(3-chlorophenoxy)-1-[3-(quinolin-2-ylmethoxy)phenyl]hexan-1-ol

C28H28ClNO3 — CID 14349139

IUPAC6-(3-chlorophenoxy)-1-[3-(quinolin-2-ylmethoxy)phenyl]hexan-1-ol
SMILESOC(CCCCCOc1cccc(Cl)c1)c1cccc(OCc2ccc3ccccc3n2)c1
InChIInChI=1S/C28H28ClNO3/c29-23-10-7-12-26(19-23)32-17-5-1-2-14-28(31)22-9-6-11-25(18-22)33-20-24-16-15-21-8-3-4-13-27(21)30-24/h3-4,6-13,15-16,18-19,28,31H,1-2,5,14,17,20H2
InChIKeyKHIDJNZBAJWOQB-UHFFFAOYSA-N
MW461.99 g/mol
LogP7.14
Rot. Bonds11

About 6-(3-chlorophenoxy)-1-[3-(quinolin-2-ylmethoxy)phenyl]hexan-1-ol

6-(3-chlorophenoxy)-1-[3-(quinolin-2-ylmethoxy)phenyl]hexan-1-ol (PubChem CID 14349139) has the molecular formula C28H28ClNO3 and a molecular weight of 461.99 g/mol. Its IUPAC name is 6-(3-chlorophenoxy)-1-[3-(quinolin-2-ylmethoxy)phenyl]hexan-1-ol.

Molecular Properties

Compound Name6-(3-chlorophenoxy)-1-[3-(quinolin-2-ylmethoxy)phenyl]hexan-1-ol
PubChem CID14349139
Molecular FormulaC28H28ClNO3
Molecular Weight461.99 g/mol
Exact Mass461.18
IUPAC Name6-(3-chlorophenoxy)-1-[3-(quinolin-2-ylmethoxy)phenyl]hexan-1-ol
SMILESOC(CCCCCOc1cccc(Cl)c1)c1cccc(OCc2ccc3ccccc3n2)c1
InChIInChI=1S/C28H28ClNO3/c29-23-10-7-12-26(19-23)32-17-5-1-2-14-28(31)22-9-6-11-25(18-22)33-20-24-16-15-21-8-3-4-13-27(21)30-24/h3-4,6-13,15-16,18-19,28,31H,1-2,5,14,17,20H2
InChIKeyKHIDJNZBAJWOQB-UHFFFAOYSA-N
XLogP7.14
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.99
LogP ≤ 57.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-(quinolin-2-ylmethoxy)phenyl]-6-[3-(trifluoromethyl)phenoxy]hexan-1-ol
CID 21280483
1-[3-(quinolin-2-ylmethoxy)phenyl]hexane-1,2-diol
CID 21280540
2-methyl-1-[3-(quinolin-2-ylmethoxy)phenyl]hexan-1-ol
CID 14349128
1-[(2R)-2-hydroxy-2-[3-(quinolin-2-ylmethoxy)phenyl]ethyl]-3-methylurea
CID 14675600
7,7,7-trifluoro-1-[4-(quinolin-2-ylmethoxy)phenyl]heptan-1-ol
CID 10092565
2-[methyl(prop-2-ynyl)amino]-1-[3-(quinolin-2-ylmethoxy)phenyl]ethanol
CID 14675604
2-[4-chloro-2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propane-1,1-diol
CID 142083985
methyl 5-chloro-2-[(3R)-3-[3-[(7-chloroquinolin-2-yl)methoxy]phenyl]-3-hydroxypropyl]benzoate
CID 10743848
[3-(quinolin-2-ylmethoxy)phenyl]boronic acid
CID 43327889
2-[(4-chloro-3-fluorophenoxy)methyl]quinoline
CID 82727045
(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 6-(3-chlorophenoxy)-1-[3-(quinolin-2-ylmethoxy)phenyl]hexan-1-ol?
The IUPAC name of 6-(3-chlorophenoxy)-1-[3-(quinolin-2-ylmethoxy)phenyl]hexan-1-ol (CID 14349139) is 6-(3-chlorophenoxy)-1-[3-(quinolin-2-ylmethoxy)phenyl]hexan-1-ol.
What is the SMILES notation for 6-(3-chlorophenoxy)-1-[3-(quinolin-2-ylmethoxy)phenyl]hexan-1-ol?
The canonical SMILES for 6-(3-chlorophenoxy)-1-[3-(quinolin-2-ylmethoxy)phenyl]hexan-1-ol is OC(CCCCCOc1cccc(Cl)c1)c1cccc(OCc2ccc3ccccc3n2)c1.
What is the InChIKey of 6-(3-chlorophenoxy)-1-[3-(quinolin-2-ylmethoxy)phenyl]hexan-1-ol?
The InChIKey is KHIDJNZBAJWOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28ClNO3/c29-23-10-7-12-26(19-23)32-17-5-1-2-14-28(31)22-9-6-11-25(18-22)33-20-24-16-15-21-8-3-4-13-27(21)30-24/h3-4,6-13,15-16,18-19,28,31H,1-2,5,14,17,20H2.
What are the key properties of 6-(3-chlorophenoxy)-1-[3-(quinolin-2-ylmethoxy)phenyl]hexan-1-ol?
6-(3-chlorophenoxy)-1-[3-(quinolin-2-ylmethoxy)phenyl]hexan-1-ol has a molecular weight of 461.99 g/mol, XLogP of 7.14, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chlorophenoxy)-1-[3-(quinolin-2-ylmethoxy)phenyl]hexan-1-ol is sourced from PubChem (CID 14349139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).