2-[2-(hydroxymethyl)phenoxy]-1-(3-methoxyphenyl)ethanol

C16H18O4 — CID 81134038

IUPAC2-[2-(hydroxymethyl)phenoxy]-1-(3-methoxyphenyl)ethanol
SMILESCOc1cccc(C(O)COc2ccccc2CO)c1
InChIInChI=1S/C16H18O4/c1-19-14-7-4-6-12(9-14)15(18)11-20-16-8-3-2-5-13(16)10-17/h2-9,15,17-18H,10-11H2,1H3
InChIKeyJFCFFKDTBMKHTQ-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.30
Rot. Bonds6

About 2-[2-(hydroxymethyl)phenoxy]-1-(3-methoxyphenyl)ethanol

2-[2-(hydroxymethyl)phenoxy]-1-(3-methoxyphenyl)ethanol (PubChem CID 81134038) has the molecular formula C16H18O4 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)phenoxy]-1-(3-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)phenoxy]-1-(3-methoxyphenyl)ethanol
PubChem CID81134038
Molecular FormulaC16H18O4
Molecular Weight274.32 g/mol
Exact Mass274.12
IUPAC Name2-[2-(hydroxymethyl)phenoxy]-1-(3-methoxyphenyl)ethanol
SMILESCOc1cccc(C(O)COc2ccccc2CO)c1
InChIInChI=1S/C16H18O4/c1-19-14-7-4-6-12(9-14)15(18)11-20-16-8-3-2-5-13(16)10-17/h2-9,15,17-18H,10-11H2,1H3
InChIKeyJFCFFKDTBMKHTQ-UHFFFAOYSA-N
XLogP2.30
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxyphenyl)-2-(2-propoxyphenoxy)ethanol
CID 110907759
2-(3,5-difluorophenoxy)-1-(3-methoxyphenyl)ethanol
CID 62783956
2-[3-(1-aminoethyl)phenoxy]-1-(3-methoxyphenyl)ethanol
CID 81134404
2-(2-ethylphenoxy)-1-(3-methoxyphenyl)ethanamine
CID 43364268
2-(2-bromo-4-chlorophenoxy)-1-(3-methoxyphenyl)ethanol
CID 112725152
2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-1-(3-methoxyphenyl)ethanol
CID 103175339
3-[2-hydroxy-2-(3-methoxyphenyl)ethoxy]thiophene-2-carboxylic acid
CID 81134733
2-(4-bromo-3,5-dimethylphenoxy)-1-(3-methoxyphenyl)ethanol
CID 107725514
2-(2-ethylphenoxy)-1-phenylethanol
CID 60731173
1-(3-methoxyphenyl)pentane-1,4-diol
CID 81134047
1-[4-[2-hydroxy-2-(3-methoxyphenyl)ethoxy]phenyl]ethanone
CID 81133388
(2S)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propane-1,2-diol
CID 134296045

Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)phenoxy]-1-(3-methoxyphenyl)ethanol?
The IUPAC name of 2-[2-(hydroxymethyl)phenoxy]-1-(3-methoxyphenyl)ethanol (CID 81134038) is 2-[2-(hydroxymethyl)phenoxy]-1-(3-methoxyphenyl)ethanol.
What is the SMILES notation for 2-[2-(hydroxymethyl)phenoxy]-1-(3-methoxyphenyl)ethanol?
The canonical SMILES for 2-[2-(hydroxymethyl)phenoxy]-1-(3-methoxyphenyl)ethanol is COc1cccc(C(O)COc2ccccc2CO)c1.
What is the InChIKey of 2-[2-(hydroxymethyl)phenoxy]-1-(3-methoxyphenyl)ethanol?
The InChIKey is JFCFFKDTBMKHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O4/c1-19-14-7-4-6-12(9-14)15(18)11-20-16-8-3-2-5-13(16)10-17/h2-9,15,17-18H,10-11H2,1H3.
What are the key properties of 2-[2-(hydroxymethyl)phenoxy]-1-(3-methoxyphenyl)ethanol?
2-[2-(hydroxymethyl)phenoxy]-1-(3-methoxyphenyl)ethanol has a molecular weight of 274.32 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)phenoxy]-1-(3-methoxyphenyl)ethanol is sourced from PubChem (CID 81134038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).