3-(hydroxymethyl)-5-[2-[(4-methoxyphenyl)methyl]-5-methylphenoxy]cyclohexan-1-ol

C22H28O4 — CID 143173165

IUPAC3-(hydroxymethyl)-5-[2-[(4-methoxyphenyl)methyl]-5-methylphenoxy]cyclohexan-1-ol
SMILESCOc1ccc(Cc2ccc(C)cc2OC2CC(O)CC(CO)C2)cc1
InChIInChI=1S/C22H28O4/c1-15-3-6-18(10-16-4-7-20(25-2)8-5-16)22(9-15)26-21-12-17(14-23)11-19(24)13-21/h3-9,17,19,21,23-24H,10-14H2,1-2H3
InChIKeyGOBWNPUKHNNRIA-UHFFFAOYSA-N
MW356.46 g/mol
LogP3.50
Rot. Bonds6

About 3-(hydroxymethyl)-5-[2-[(4-methoxyphenyl)methyl]-5-methylphenoxy]cyclohexan-1-ol

3-(hydroxymethyl)-5-[2-[(4-methoxyphenyl)methyl]-5-methylphenoxy]cyclohexan-1-ol (PubChem CID 143173165) has the molecular formula C22H28O4 and a molecular weight of 356.46 g/mol. Its IUPAC name is 3-(hydroxymethyl)-5-[2-[(4-methoxyphenyl)methyl]-5-methylphenoxy]cyclohexan-1-ol.

Molecular Properties

Compound Name3-(hydroxymethyl)-5-[2-[(4-methoxyphenyl)methyl]-5-methylphenoxy]cyclohexan-1-ol
PubChem CID143173165
Molecular FormulaC22H28O4
Molecular Weight356.46 g/mol
Exact Mass356.20
IUPAC Name3-(hydroxymethyl)-5-[2-[(4-methoxyphenyl)methyl]-5-methylphenoxy]cyclohexan-1-ol
SMILESCOc1ccc(Cc2ccc(C)cc2OC2CC(O)CC(CO)C2)cc1
InChIInChI=1S/C22H28O4/c1-15-3-6-18(10-16-4-7-20(25-2)8-5-16)22(9-15)26-21-12-17(14-23)11-19(24)13-21/h3-9,17,19,21,23-24H,10-14H2,1-2H3
InChIKeyGOBWNPUKHNNRIA-UHFFFAOYSA-N
XLogP3.50
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;1-[(4-methoxyphenyl)methyl]-2,4-dimethylbenzene
CID 143200250
3-(2-chloro-4-methylphenoxy)cyclobutan-1-ol
CID 66343960
acetylene;(1S,3R,5R)-3-(hydroxymethyl)-5-[[5-methyl-4-[(4-methylphenyl)methyl]-1H-pyrazol-3-yl]oxy]cyclohexan-1-ol;methanol
CID 142218821
4-methoxy-1-[(4-methoxyphenyl)methyl]-2-methylbenzene
CID 15654338
3-(4-ethyl-2-methoxyphenoxy)cyclobutan-1-ol
CID 107669388
(3S)-2-(hydroxymethyl)-6-[2-[(4-methoxyphenyl)methyl]phenoxy]oxane-3,4-diol
CID 170396579
2-[3-[(4-cyclohexyloxyphenyl)methyl]-4-methylphenyl]-6-(hydroxymethyl)oxan-4-ol
CID 77424217
4-[[2-ethyl-5-[3-hydroxy-5-(hydroxymethyl)cyclohexyl]phenyl]methyl]phenol
CID 145407345
cis-(1R,3R)-3-[2-(4-methoxyphenyl)ethyl]cyclohexan-1-ol
CID 11506917
3-[2-(4-methoxyphenyl)ethyl]cyclohexan-1-ol
CID 65444252
2-cyclopentyloxy-1-methoxy-4-methylbenzene;ethane
CID 142884364
(2R,3S,4R,5R,6S)-6-[5-amino-2-[(4-methoxyphenyl)methyl]phenoxy]-2-(hydroxymethyl)-3-methyloxane-3,4,5-triol
CID 68986257

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-5-[2-[(4-methoxyphenyl)methyl]-5-methylphenoxy]cyclohexan-1-ol?
The IUPAC name of 3-(hydroxymethyl)-5-[2-[(4-methoxyphenyl)methyl]-5-methylphenoxy]cyclohexan-1-ol (CID 143173165) is 3-(hydroxymethyl)-5-[2-[(4-methoxyphenyl)methyl]-5-methylphenoxy]cyclohexan-1-ol.
What is the SMILES notation for 3-(hydroxymethyl)-5-[2-[(4-methoxyphenyl)methyl]-5-methylphenoxy]cyclohexan-1-ol?
The canonical SMILES for 3-(hydroxymethyl)-5-[2-[(4-methoxyphenyl)methyl]-5-methylphenoxy]cyclohexan-1-ol is COc1ccc(Cc2ccc(C)cc2OC2CC(O)CC(CO)C2)cc1.
What is the InChIKey of 3-(hydroxymethyl)-5-[2-[(4-methoxyphenyl)methyl]-5-methylphenoxy]cyclohexan-1-ol?
The InChIKey is GOBWNPUKHNNRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28O4/c1-15-3-6-18(10-16-4-7-20(25-2)8-5-16)22(9-15)26-21-12-17(14-23)11-19(24)13-21/h3-9,17,19,21,23-24H,10-14H2,1-2H3.
What are the key properties of 3-(hydroxymethyl)-5-[2-[(4-methoxyphenyl)methyl]-5-methylphenoxy]cyclohexan-1-ol?
3-(hydroxymethyl)-5-[2-[(4-methoxyphenyl)methyl]-5-methylphenoxy]cyclohexan-1-ol has a molecular weight of 356.46 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-5-[2-[(4-methoxyphenyl)methyl]-5-methylphenoxy]cyclohexan-1-ol is sourced from PubChem (CID 143173165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).