trans-(1S,2R)-1-(3-hydroxypropyl)-2-methoxycyclohexan-1-ol

C10H20O3 — CID 98010257

IUPACtrans-(1S,2R)-1-(3-hydroxypropyl)-2-methoxycyclohexan-1-ol
SMILESCO[C@@H]1CCCC[C@]1(O)CCCO
InChIInChI=1S/C10H20O3/c1-13-9-5-2-3-6-10(9,12)7-4-8-11/h9,11-12H,2-8H2,1H3/t9-,10+/m1/s1
InChIKeyNHUOPUCYKMHCGO-ZJUUUORDSA-N
MW188.27 g/mol
LogP1.08
Rot. Bonds4

About trans-(1S,2R)-1-(3-hydroxypropyl)-2-methoxycyclohexan-1-ol

trans-(1S,2R)-1-(3-hydroxypropyl)-2-methoxycyclohexan-1-ol (PubChem CID 98010257) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is trans-(1S,2R)-1-(3-hydroxypropyl)-2-methoxycyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2R)-1-(3-hydroxypropyl)-2-methoxycyclohexan-1-ol
PubChem CID98010257
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Nametrans-(1S,2R)-1-(3-hydroxypropyl)-2-methoxycyclohexan-1-ol
SMILESCO[C@@H]1CCCC[C@]1(O)CCCO
InChIInChI=1S/C10H20O3/c1-13-9-5-2-3-6-10(9,12)7-4-8-11/h9,11-12H,2-8H2,1H3/t9-,10+/m1/s1
InChIKeyNHUOPUCYKMHCGO-ZJUUUORDSA-N
XLogP1.08
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-1-pentylcyclohexan-1-ol
CID 106873594
2-methoxy-1-(3-methylsulfonylpropyl)cyclohexan-1-ol
CID 106873575
1-(3-hydroxypropyl)-2-phosphanyloxycyclopentan-1-ol
CID 58779204
2-methoxy-1-(3-phenylpropyl)cyclohexan-1-ol
CID 106873775
(1R,2R,4R)-4-tert-butyl-1-(3-hydroxypropyl)-2-methoxycyclohexan-1-ol
CID 15759025
2-(1-hydroxy-2-methoxycyclohexyl)acetaldehyde
CID 106875208
1-[(cyclopropylamino)methyl]-2-methoxycyclohexan-1-ol
CID 106874406
3-[1-(aminomethyl)-2-methoxycyclohexyl]oxypropan-1-ol
CID 106874712
1-(3-hydroxypropyl)-2-methylcyclobutan-1-ol
CID 56631028
1-(7-hydroxyheptyl)-2-propan-2-ylcyclohexan-1-ol
CID 54437646
2-methoxycyclohexane-1,1-diamine
CID 22418278
1-[(4-chlorophenyl)methyl]-2-methoxycyclohexan-1-ol
CID 106873721

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-1-(3-hydroxypropyl)-2-methoxycyclohexan-1-ol?
The IUPAC name of trans-(1S,2R)-1-(3-hydroxypropyl)-2-methoxycyclohexan-1-ol (CID 98010257) is trans-(1S,2R)-1-(3-hydroxypropyl)-2-methoxycyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2R)-1-(3-hydroxypropyl)-2-methoxycyclohexan-1-ol?
The canonical SMILES for trans-(1S,2R)-1-(3-hydroxypropyl)-2-methoxycyclohexan-1-ol is CO[C@@H]1CCCC[C@]1(O)CCCO.
What is the InChIKey of trans-(1S,2R)-1-(3-hydroxypropyl)-2-methoxycyclohexan-1-ol?
The InChIKey is NHUOPUCYKMHCGO-ZJUUUORDSA-N. The full InChI is InChI=1S/C10H20O3/c1-13-9-5-2-3-6-10(9,12)7-4-8-11/h9,11-12H,2-8H2,1H3/t9-,10+/m1/s1.
What are the key properties of trans-(1S,2R)-1-(3-hydroxypropyl)-2-methoxycyclohexan-1-ol?
trans-(1S,2R)-1-(3-hydroxypropyl)-2-methoxycyclohexan-1-ol has a molecular weight of 188.27 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-1-(3-hydroxypropyl)-2-methoxycyclohexan-1-ol is sourced from PubChem (CID 98010257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).