1-cyclohexyl-2-quinolin-5-ylethane-1,2-diol

C17H21NO2 — CID 103459285

IUPAC1-cyclohexyl-2-quinolin-5-ylethane-1,2-diol
SMILESOC(c1cccc2ncccc12)C(O)C1CCCCC1
InChIInChI=1S/C17H21NO2/c19-16(12-6-2-1-3-7-12)17(20)14-8-4-10-15-13(14)9-5-11-18-15/h4-5,8-12,16-17,19-20H,1-3,6-7H2
InChIKeyMJEDIZGDKKHMQO-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.21
Rot. Bonds3

About 1-cyclohexyl-2-quinolin-5-ylethane-1,2-diol

1-cyclohexyl-2-quinolin-5-ylethane-1,2-diol (PubChem CID 103459285) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-cyclohexyl-2-quinolin-5-ylethane-1,2-diol.

Molecular Properties

Compound Name1-cyclohexyl-2-quinolin-5-ylethane-1,2-diol
PubChem CID103459285
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name1-cyclohexyl-2-quinolin-5-ylethane-1,2-diol
SMILESOC(c1cccc2ncccc12)C(O)C1CCCCC1
InChIInChI=1S/C17H21NO2/c19-16(12-6-2-1-3-7-12)17(20)14-8-4-10-15-13(14)9-5-11-18-15/h4-5,8-12,16-17,19-20H,1-3,6-7H2
InChIKeyMJEDIZGDKKHMQO-UHFFFAOYSA-N
XLogP3.21
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-2-quinolin-8-ylethane-1,2-diol
CID 103459066
6-bicyclo[3.1.0]hexanyl(quinolin-5-yl)methanol
CID 115826271
(1R)-1-quinolin-5-ylethanol
CID 86326294
2,3-dihydro-1H-inden-2-yl(quinolin-5-yl)methanol
CID 81209914
1-cyclopentyl-2-quinolin-5-yloxyethanol
CID 103045508
2-cyclopropyl-1-quinolin-5-ylethanamine
CID 79015948
cycloheptyl(quinoxalin-5-yl)methanol
CID 105122139
3-cyclopentyl-1-quinolin-5-ylpropan-1-amine
CID 105020216
3-(oxan-2-yl)-1-quinolin-5-ylpropan-1-ol
CID 115826333
2-methyl-1-quinolin-5-ylpentan-1-ol
CID 81216641
1-(7-bicyclo[4.1.0]heptanyl)-N-methyl-1-quinolin-5-ylmethanamine
CID 105020098
(1R)-1-quinolin-5-ylethanamine
CID 55277010

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-quinolin-5-ylethane-1,2-diol?
The IUPAC name of 1-cyclohexyl-2-quinolin-5-ylethane-1,2-diol (CID 103459285) is 1-cyclohexyl-2-quinolin-5-ylethane-1,2-diol.
What is the SMILES notation for 1-cyclohexyl-2-quinolin-5-ylethane-1,2-diol?
The canonical SMILES for 1-cyclohexyl-2-quinolin-5-ylethane-1,2-diol is OC(c1cccc2ncccc12)C(O)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-quinolin-5-ylethane-1,2-diol?
The InChIKey is MJEDIZGDKKHMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c19-16(12-6-2-1-3-7-12)17(20)14-8-4-10-15-13(14)9-5-11-18-15/h4-5,8-12,16-17,19-20H,1-3,6-7H2.
What are the key properties of 1-cyclohexyl-2-quinolin-5-ylethane-1,2-diol?
1-cyclohexyl-2-quinolin-5-ylethane-1,2-diol has a molecular weight of 271.36 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-quinolin-5-ylethane-1,2-diol is sourced from PubChem (CID 103459285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).