[1-(3-ethylcyclohexyl)oxyisoquinolin-4-yl]methanol

C18H23NO2 — CID 106768794

IUPAC[1-(3-ethylcyclohexyl)oxyisoquinolin-4-yl]methanol
SMILESCCC1CCCC(Oc2ncc(CO)c3ccccc23)C1
InChIInChI=1S/C18H23NO2/c1-2-13-6-5-7-15(10-13)21-18-17-9-4-3-8-16(17)14(12-20)11-19-18/h3-4,8-9,11,13,15,20H,2,5-7,10,12H2,1H3
InChIKeyLDGYEQMUDIHXBT-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.07
Rot. Bonds4

About [1-(3-ethylcyclohexyl)oxyisoquinolin-4-yl]methanol

[1-(3-ethylcyclohexyl)oxyisoquinolin-4-yl]methanol (PubChem CID 106768794) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is [1-(3-ethylcyclohexyl)oxyisoquinolin-4-yl]methanol.

Molecular Properties

Compound Name[1-(3-ethylcyclohexyl)oxyisoquinolin-4-yl]methanol
PubChem CID106768794
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name[1-(3-ethylcyclohexyl)oxyisoquinolin-4-yl]methanol
SMILESCCC1CCCC(Oc2ncc(CO)c3ccccc23)C1
InChIInChI=1S/C18H23NO2/c1-2-13-6-5-7-15(10-13)21-18-17-9-4-3-8-16(17)14(12-20)11-19-18/h3-4,8-9,11,13,15,20H,2,5-7,10,12H2,1H3
InChIKeyLDGYEQMUDIHXBT-UHFFFAOYSA-N
XLogP4.07
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(6-Methoxynaphthalen-2-yl)-pyridin-3-yl]ethanol
CID 25034425
4-(6-Methoxy-3-methyl-3,4-dihydronaphthalen-2-yl)isoquinoline
CID 25034428
3-(1-Methoxyethyl)-5-(6-methoxynaphthalen-2-yl)pyridine
CID 25034493
5-(4-Phenoxybutoxy)isoquinoline
CID 45271233
(6-(Benzyloxy)pyridin-3-yl)methanol
CID 59255139
AH 6696
CID 192830
[5-(6-Methoxynaphthalen-2-yl)pyridin-3-yl]methanol
CID 25034350
(4-Propan-2-yloxyphenyl)-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol
CID 56665873
(2-Fluoro-4-methylphenyl)-(4-propan-2-yloxyphenyl)-pyridin-3-ylmethanol
CID 56668887
Bis(4-propan-2-yloxyphenyl)-pyridin-3-ylmethanol
CID 56672373
3-[6-[(3S)-pyrrolidin-3-yl]oxyisoquinolin-4-yl]phenol
CID 156016040
3-((2-(3-Methoxyphenethyl)phenoxy)methyl)pyridine
CID 11973926

Frequently Asked Questions

What is the IUPAC name of [1-(3-ethylcyclohexyl)oxyisoquinolin-4-yl]methanol?
The IUPAC name of [1-(3-ethylcyclohexyl)oxyisoquinolin-4-yl]methanol (CID 106768794) is [1-(3-ethylcyclohexyl)oxyisoquinolin-4-yl]methanol.
What is the SMILES notation for [1-(3-ethylcyclohexyl)oxyisoquinolin-4-yl]methanol?
The canonical SMILES for [1-(3-ethylcyclohexyl)oxyisoquinolin-4-yl]methanol is CCC1CCCC(Oc2ncc(CO)c3ccccc23)C1.
What is the InChIKey of [1-(3-ethylcyclohexyl)oxyisoquinolin-4-yl]methanol?
The InChIKey is LDGYEQMUDIHXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-2-13-6-5-7-15(10-13)21-18-17-9-4-3-8-16(17)14(12-20)11-19-18/h3-4,8-9,11,13,15,20H,2,5-7,10,12H2,1H3.
What are the key properties of [1-(3-ethylcyclohexyl)oxyisoquinolin-4-yl]methanol?
[1-(3-ethylcyclohexyl)oxyisoquinolin-4-yl]methanol has a molecular weight of 285.39 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-ethylcyclohexyl)oxyisoquinolin-4-yl]methanol is sourced from PubChem (CID 106768794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).