cis-(1S,2R)-2-[2-(3-methoxy-4-methylphenyl)ethoxy]cyclohexan-1-ol

C16H24O3 — CID 71159032

IUPACcis-(1S,2R)-2-[2-(3-methoxy-4-methylphenyl)ethoxy]cyclohexan-1-ol
SMILESCOc1cc(CCO[C@@H]2CCCC[C@@H]2O)ccc1C
InChIInChI=1S/C16H24O3/c1-12-7-8-13(11-16(12)18-2)9-10-19-15-6-4-3-5-14(15)17/h7-8,11,14-15,17H,3-6,9-10H2,1-2H3/t14-,15+/m0/s1
InChIKeyFUIPQLMEQMOZTN-LSDHHAIUSA-N
MW264.37 g/mol
LogP2.87
Rot. Bonds5

About cis-(1S,2R)-2-[2-(3-methoxy-4-methylphenyl)ethoxy]cyclohexan-1-ol

cis-(1S,2R)-2-[2-(3-methoxy-4-methylphenyl)ethoxy]cyclohexan-1-ol (PubChem CID 71159032) has the molecular formula C16H24O3 and a molecular weight of 264.37 g/mol. Its IUPAC name is cis-(1S,2R)-2-[2-(3-methoxy-4-methylphenyl)ethoxy]cyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1S,2R)-2-[2-(3-methoxy-4-methylphenyl)ethoxy]cyclohexan-1-ol
PubChem CID71159032
Molecular FormulaC16H24O3
Molecular Weight264.37 g/mol
Exact Mass264.17
IUPAC Namecis-(1S,2R)-2-[2-(3-methoxy-4-methylphenyl)ethoxy]cyclohexan-1-ol
SMILESCOc1cc(CCO[C@@H]2CCCC[C@@H]2O)ccc1C
InChIInChI=1S/C16H24O3/c1-12-7-8-13(11-16(12)18-2)9-10-19-15-6-4-3-5-14(15)17/h7-8,11,14-15,17H,3-6,9-10H2,1-2H3/t14-,15+/m0/s1
InChIKeyFUIPQLMEQMOZTN-LSDHHAIUSA-N
XLogP2.87
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-[(1S,2S)-2-[2-(3-methoxy-4-methylphenyl)ethoxy]cyclohexyl]pyrrolidin-3-ol
CID 58637355
trans-(1R,2R)-2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexan-1-amine;hydrochloride
CID 68603153
(1R)-2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexane-1-carboxamide
CID 126658675
(1R)-2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexane-1-carboxylic acid
CID 126658672
cis-(1R,2S)-2-(2-phenylethoxy)cyclohexan-1-ol
CID 59987763
(3R)-1-[(1S,2S)-2-[2-(4-methoxy-3-methylphenyl)ethoxy]cyclohexyl]pyrrolidin-3-ol;sulfane;hydrochloride
CID 169425207
1-[(1R,2R)-2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]pyrrolidine
CID 16735227
(3R)-1-[(1R,2S)-2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]pyrrolidin-3-ol
CID 11268116
(3R)-1-[(1R,2S)-2-[2-[3,4-di((113C)methoxy)phenyl]ethoxy]cyclohexyl]pyrrolidin-3-ol
CID 11639643
1-[(1R,2S)-2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]pyrrolidin-3-ol
CID 59679744
(3R)-1-[(1S,2S)-2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]pyrrolidin-3-ol;hydrochloride
CID 11773573
4-[[(1R)-2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]amino]butan-2-one
CID 67478147

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-[2-(3-methoxy-4-methylphenyl)ethoxy]cyclohexan-1-ol?
The IUPAC name of cis-(1S,2R)-2-[2-(3-methoxy-4-methylphenyl)ethoxy]cyclohexan-1-ol (CID 71159032) is cis-(1S,2R)-2-[2-(3-methoxy-4-methylphenyl)ethoxy]cyclohexan-1-ol.
What is the SMILES notation for cis-(1S,2R)-2-[2-(3-methoxy-4-methylphenyl)ethoxy]cyclohexan-1-ol?
The canonical SMILES for cis-(1S,2R)-2-[2-(3-methoxy-4-methylphenyl)ethoxy]cyclohexan-1-ol is COc1cc(CCO[C@@H]2CCCC[C@@H]2O)ccc1C.
What is the InChIKey of cis-(1S,2R)-2-[2-(3-methoxy-4-methylphenyl)ethoxy]cyclohexan-1-ol?
The InChIKey is FUIPQLMEQMOZTN-LSDHHAIUSA-N. The full InChI is InChI=1S/C16H24O3/c1-12-7-8-13(11-16(12)18-2)9-10-19-15-6-4-3-5-14(15)17/h7-8,11,14-15,17H,3-6,9-10H2,1-2H3/t14-,15+/m0/s1.
What are the key properties of cis-(1S,2R)-2-[2-(3-methoxy-4-methylphenyl)ethoxy]cyclohexan-1-ol?
cis-(1S,2R)-2-[2-(3-methoxy-4-methylphenyl)ethoxy]cyclohexan-1-ol has a molecular weight of 264.37 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-[2-(3-methoxy-4-methylphenyl)ethoxy]cyclohexan-1-ol is sourced from PubChem (CID 71159032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).