trans-(1R,2S)-2-(2,5-dimethoxyphenyl)cyclohexan-1-ol

C14H20O3 — CID 6994758

IUPACtrans-(1R,2S)-2-(2,5-dimethoxyphenyl)cyclohexan-1-ol
SMILESCOc1ccc(OC)c([C@@H]2CCCC[C@H]2O)c1
InChIInChI=1S/C14H20O3/c1-16-10-7-8-14(17-2)12(9-10)11-5-3-4-6-13(11)15/h7-9,11,13,15H,3-6H2,1-2H3/t11-,13+/m0/s1
InChIKeyIPBLFABLABBHLF-WCQYABFASA-N
MW236.31 g/mol
LogP2.72
Rot. Bonds3

About trans-(1R,2S)-2-(2,5-dimethoxyphenyl)cyclohexan-1-ol

trans-(1R,2S)-2-(2,5-dimethoxyphenyl)cyclohexan-1-ol (PubChem CID 6994758) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is trans-(1R,2S)-2-(2,5-dimethoxyphenyl)cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2S)-2-(2,5-dimethoxyphenyl)cyclohexan-1-ol
PubChem CID6994758
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Nametrans-(1R,2S)-2-(2,5-dimethoxyphenyl)cyclohexan-1-ol
SMILESCOc1ccc(OC)c([C@@H]2CCCC[C@H]2O)c1
InChIInChI=1S/C14H20O3/c1-16-10-7-8-14(17-2)12(9-10)11-5-3-4-6-13(11)15/h7-9,11,13,15H,3-6H2,1-2H3/t11-,13+/m0/s1
InChIKeyIPBLFABLABBHLF-WCQYABFASA-N
XLogP2.72
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dimethoxyphenyl)cycloheptan-1-ol
CID 62800812
N-[[2-(2,5-dimethoxyphenyl)cyclohexyl]methyl]ethanamine
CID 81027759
2-[2-(2,5-dimethoxyphenyl)cyclopentyl]acetic acid
CID 66652406
(4aR,6R,10bR)-6-(2,5-dimethoxyphenyl)-8,9-dimethoxy-2,3,4,4a,6,10b-hexahydro-1H-benzo[c]chromene
CID 7357039
(1S)-1-[(1S,2R)-2-(2,5-dimethoxyphenyl)cyclopropyl]ethanol
CID 124552575
N-[[2-(2,5-dimethoxyphenyl)cyclopentyl]methyl]cyclopropanamine
CID 81033094
3-(2,5-dimethoxyphenyl)cycloheptan-1-amine
CID 64505800
(4aR,10aS)-10-(3-fluoro-4-methoxyphenyl)-6-methoxy-1,2,3,4,4a,9,10,10a-octahydrophenanthren-9-ol
CID 59504421
N-[[2-(2,5-dimethoxyphenyl)cyclopentyl]methyl]propan-1-amine
CID 81033055
2-(2,5-dimethoxyphenyl)azetidine
CID 55295985
6-methoxy-1,2,3,4,4a,9,10,10a-octahydrophenanthrene
CID 134188965
(1R)-1-[(1R,2S)-2-(2,5-dimethoxyphenyl)cyclopropyl]ethanamine
CID 29079123

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-2-(2,5-dimethoxyphenyl)cyclohexan-1-ol?
The IUPAC name of trans-(1R,2S)-2-(2,5-dimethoxyphenyl)cyclohexan-1-ol (CID 6994758) is trans-(1R,2S)-2-(2,5-dimethoxyphenyl)cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2S)-2-(2,5-dimethoxyphenyl)cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2S)-2-(2,5-dimethoxyphenyl)cyclohexan-1-ol is COc1ccc(OC)c([C@@H]2CCCC[C@H]2O)c1.
What is the InChIKey of trans-(1R,2S)-2-(2,5-dimethoxyphenyl)cyclohexan-1-ol?
The InChIKey is IPBLFABLABBHLF-WCQYABFASA-N. The full InChI is InChI=1S/C14H20O3/c1-16-10-7-8-14(17-2)12(9-10)11-5-3-4-6-13(11)15/h7-9,11,13,15H,3-6H2,1-2H3/t11-,13+/m0/s1.
What are the key properties of trans-(1R,2S)-2-(2,5-dimethoxyphenyl)cyclohexan-1-ol?
trans-(1R,2S)-2-(2,5-dimethoxyphenyl)cyclohexan-1-ol has a molecular weight of 236.31 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-2-(2,5-dimethoxyphenyl)cyclohexan-1-ol is sourced from PubChem (CID 6994758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).