trans-(1R,2S)-2-[2-(methoxymethoxy)phenyl]cyclohexan-1-ol

C14H20O3 — CID 54125386

IUPACtrans-(1R,2S)-2-[2-(methoxymethoxy)phenyl]cyclohexan-1-ol
SMILESCOCOc1ccccc1[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C14H20O3/c1-16-10-17-14-9-5-3-7-12(14)11-6-2-4-8-13(11)15/h3,5,7,9,11,13,15H,2,4,6,8,10H2,1H3/t11-,13+/m0/s1
InChIKeyNQPIYTKPEXYHEN-WCQYABFASA-N
MW236.31 g/mol
LogP2.69
Rot. Bonds4

About trans-(1R,2S)-2-[2-(methoxymethoxy)phenyl]cyclohexan-1-ol

trans-(1R,2S)-2-[2-(methoxymethoxy)phenyl]cyclohexan-1-ol (PubChem CID 54125386) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is trans-(1R,2S)-2-[2-(methoxymethoxy)phenyl]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2S)-2-[2-(methoxymethoxy)phenyl]cyclohexan-1-ol
PubChem CID54125386
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Nametrans-(1R,2S)-2-[2-(methoxymethoxy)phenyl]cyclohexan-1-ol
SMILESCOCOc1ccccc1[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C14H20O3/c1-16-10-17-14-9-5-3-7-12(14)11-6-2-4-8-13(11)15/h3,5,7,9,11,13,15H,2,4,6,8,10H2,1H3/t11-,13+/m0/s1
InChIKeyNQPIYTKPEXYHEN-WCQYABFASA-N
XLogP2.69
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-methoxyethoxy)phenyl]cyclohexan-1-ol
CID 104662423
2-(2-ethoxyphenyl)cyclopentan-1-ol
CID 62801074
trans-(1R,2S)-2-(2-phenylmethoxyphenyl)cyclohexan-1-ol
CID 18653088
[(1S,2R)-2-[2-(methoxymethoxy)phenyl]cyclohexyl] hexanoate
CID 57005677
cyclopentyl-[2-(methoxymethoxy)phenyl]methanone
CID 10082767
trans-(1R,2S)-2-(2-methylphenyl)cyclohexan-1-ol
CID 11263979
2-[2-(2-methoxyethoxy)phenyl]-N-methylcycloheptan-1-amine
CID 104662480
(1S)-7-(methoxymethoxy)-2,3-dihydro-1H-inden-1-ol
CID 130651927
2-(2-fluoro-3-methoxyphenyl)cyclopentan-1-ol
CID 82812195
(5,6-dihydroxy-4-oxocyclodecyl) 2-(methoxymethoxy)benzoate
CID 91065711
2-(2-ethoxyphenyl)cyclohexane-1-carboxylic acid
CID 81008651
(5R,6R)-6-[2-(methoxymethoxy)phenyl]-2-methyl-5-prop-1-en-2-ylcyclohexen-1-ol
CID 10356773

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-2-[2-(methoxymethoxy)phenyl]cyclohexan-1-ol?
The IUPAC name of trans-(1R,2S)-2-[2-(methoxymethoxy)phenyl]cyclohexan-1-ol (CID 54125386) is trans-(1R,2S)-2-[2-(methoxymethoxy)phenyl]cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2S)-2-[2-(methoxymethoxy)phenyl]cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2S)-2-[2-(methoxymethoxy)phenyl]cyclohexan-1-ol is COCOc1ccccc1[C@@H]1CCCC[C@H]1O.
What is the InChIKey of trans-(1R,2S)-2-[2-(methoxymethoxy)phenyl]cyclohexan-1-ol?
The InChIKey is NQPIYTKPEXYHEN-WCQYABFASA-N. The full InChI is InChI=1S/C14H20O3/c1-16-10-17-14-9-5-3-7-12(14)11-6-2-4-8-13(11)15/h3,5,7,9,11,13,15H,2,4,6,8,10H2,1H3/t11-,13+/m0/s1.
What are the key properties of trans-(1R,2S)-2-[2-(methoxymethoxy)phenyl]cyclohexan-1-ol?
trans-(1R,2S)-2-[2-(methoxymethoxy)phenyl]cyclohexan-1-ol has a molecular weight of 236.31 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-2-[2-(methoxymethoxy)phenyl]cyclohexan-1-ol is sourced from PubChem (CID 54125386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).