2-[4-[1-(4-methoxyphenyl)cyclohexyl]phenoxy]ethanol

C21H26O3 — CID 90294446

IUPAC2-[4-[1-(4-methoxyphenyl)cyclohexyl]phenoxy]ethanol
SMILESCOc1ccc(C2(c3ccc(OCCO)cc3)CCCCC2)cc1
InChIInChI=1S/C21H26O3/c1-23-19-9-5-17(6-10-19)21(13-3-2-4-14-21)18-7-11-20(12-8-18)24-16-15-22/h5-12,22H,2-4,13-16H2,1H3
InChIKeyIRDLSSTXMACRAN-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.32
Rot. Bonds6

About 2-[4-[1-(4-methoxyphenyl)cyclohexyl]phenoxy]ethanol

2-[4-[1-(4-methoxyphenyl)cyclohexyl]phenoxy]ethanol (PubChem CID 90294446) has the molecular formula C21H26O3 and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-[4-[1-(4-methoxyphenyl)cyclohexyl]phenoxy]ethanol.

Molecular Properties

Compound Name2-[4-[1-(4-methoxyphenyl)cyclohexyl]phenoxy]ethanol
PubChem CID90294446
Molecular FormulaC21H26O3
Molecular Weight326.44 g/mol
Exact Mass326.19
IUPAC Name2-[4-[1-(4-methoxyphenyl)cyclohexyl]phenoxy]ethanol
SMILESCOc1ccc(C2(c3ccc(OCCO)cc3)CCCCC2)cc1
InChIInChI=1S/C21H26O3/c1-23-19-9-5-17(6-10-19)21(13-3-2-4-14-21)18-7-11-20(12-8-18)24-16-15-22/h5-12,22H,2-4,13-16H2,1H3
InChIKeyIRDLSSTXMACRAN-UHFFFAOYSA-N
XLogP4.32
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methoxy-4-[1-[4-(methoxymethoxy)phenyl]cyclopentyl]benzene
CID 140897916
1-(2-ethenoxyethoxy)-4-[1-[4-(2-methoxyethoxy)phenyl]cyclohexyl]benzene
CID 20718251
[4-[1-(4-methoxyphenyl)cyclopentyl]phenyl] acetate;tungsten
CID 160932585
1-[4-[1-[4-(2-oxopropoxy)phenyl]cyclohexyl]phenoxy]propan-2-one
CID 138403046
[4-[1-(4-methoxyphenyl)cyclopentyl]phenyl] acetate
CID 22899845
1-(4-methoxyphenyl)-1-[4-(2-methylbutan-2-yloxy)phenyl]cyclododecane
CID 146482116
[4-[1-(4-methoxyphenyl)cyclohexyl]phenoxy]methanone;yttrium
CID 58669309
2-[2-ethyl-4-[1-[3-ethyl-4-(2-hydroxyethoxy)phenyl]cyclooctyl]phenoxy]ethanol
CID 21257839
2-[2-ethyl-4-[1-[3-ethyl-4-(2-hydroxyethoxy)phenyl]cyclohexyl]phenoxy]ethanol
CID 18618779
[4-(2-hydroxyethoxy)phenyl]-(4-methoxyphenyl)methanone
CID 66778395
[4-[1-(4-methoxyphenyl)cyclobutyl]phenyl] acetate
CID 90310480
1-(2-ethenoxyethoxy)-4-[1-(4-ethenylphenyl)cyclohexyl]benzene
CID 21044973

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(4-methoxyphenyl)cyclohexyl]phenoxy]ethanol?
The IUPAC name of 2-[4-[1-(4-methoxyphenyl)cyclohexyl]phenoxy]ethanol (CID 90294446) is 2-[4-[1-(4-methoxyphenyl)cyclohexyl]phenoxy]ethanol.
What is the SMILES notation for 2-[4-[1-(4-methoxyphenyl)cyclohexyl]phenoxy]ethanol?
The canonical SMILES for 2-[4-[1-(4-methoxyphenyl)cyclohexyl]phenoxy]ethanol is COc1ccc(C2(c3ccc(OCCO)cc3)CCCCC2)cc1.
What is the InChIKey of 2-[4-[1-(4-methoxyphenyl)cyclohexyl]phenoxy]ethanol?
The InChIKey is IRDLSSTXMACRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26O3/c1-23-19-9-5-17(6-10-19)21(13-3-2-4-14-21)18-7-11-20(12-8-18)24-16-15-22/h5-12,22H,2-4,13-16H2,1H3.
What are the key properties of 2-[4-[1-(4-methoxyphenyl)cyclohexyl]phenoxy]ethanol?
2-[4-[1-(4-methoxyphenyl)cyclohexyl]phenoxy]ethanol has a molecular weight of 326.44 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(4-methoxyphenyl)cyclohexyl]phenoxy]ethanol is sourced from PubChem (CID 90294446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).