4-ethyl-2-[(2-hydroxyphenyl)-methoxymethoxy]phenol

C16H18O4 — CID 91012605

IUPAC4-ethyl-2-[(2-hydroxyphenyl)-methoxymethoxy]phenol
SMILESCCc1ccc(O)c(OC(OC)c2ccccc2O)c1
InChIInChI=1S/C16H18O4/c1-3-11-8-9-14(18)15(10-11)20-16(19-2)12-6-4-5-7-13(12)17/h4-10,16-18H,3H2,1-2H3
InChIKeyLEWVSWCTAZJMTF-UHFFFAOYSA-N
MW274.32 g/mol
LogP3.38
Rot. Bonds5

About 4-ethyl-2-[(2-hydroxyphenyl)-methoxymethoxy]phenol

4-ethyl-2-[(2-hydroxyphenyl)-methoxymethoxy]phenol (PubChem CID 91012605) has the molecular formula C16H18O4 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-ethyl-2-[(2-hydroxyphenyl)-methoxymethoxy]phenol.

Molecular Properties

Compound Name4-ethyl-2-[(2-hydroxyphenyl)-methoxymethoxy]phenol
PubChem CID91012605
Molecular FormulaC16H18O4
Molecular Weight274.32 g/mol
Exact Mass274.12
IUPAC Name4-ethyl-2-[(2-hydroxyphenyl)-methoxymethoxy]phenol
SMILESCCc1ccc(O)c(OC(OC)c2ccccc2O)c1
InChIInChI=1S/C16H18O4/c1-3-11-8-9-14(18)15(10-11)20-16(19-2)12-6-4-5-7-13(12)17/h4-10,16-18H,3H2,1-2H3
InChIKeyLEWVSWCTAZJMTF-UHFFFAOYSA-N
XLogP3.38
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-ethyl-2-(5-ethyl-2-hydroxyphenoxy)phenol
CID 18691745
4-ethyl-2-[(5-ethyl-2-hydroxyphenyl)-phenylmethyl]phenol
CID 23019029
2-methoxy-4-[[[(1S)-1-(2-methoxyphenyl)ethyl]amino]methyl]phenol
CID 28624338
4-[3-amino-2-(2-methoxyphenyl)propyl]-2-methoxyphenol
CID 83974353
2-(5-ethyl-2-hydroxyphenyl)butanenitrile
CID 130134665
2-amino-2-(5-ethyl-2-hydroxyphenyl)acetonitrile
CID 130061052
2-methoxy-4-[(2-methoxyphenoxy)methyl]phenol
CID 71421092
3-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenyl)propanoic acid
CID 83955199
4-[(3R)-3-aminobutyl]-2-propan-2-yloxyphenol
CID 118278100
ethane;4-ethyl-1-methoxy-2-propan-2-ylbenzene
CID 142904344
2-methoxy-4-[[1-(2-methylphenyl)ethylamino]methyl]phenol
CID 43181528
(3R)-3-(5-ethyl-2-methoxyphenyl)-3-phenylpropan-1-ol
CID 66730972

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[(2-hydroxyphenyl)-methoxymethoxy]phenol?
The IUPAC name of 4-ethyl-2-[(2-hydroxyphenyl)-methoxymethoxy]phenol (CID 91012605) is 4-ethyl-2-[(2-hydroxyphenyl)-methoxymethoxy]phenol.
What is the SMILES notation for 4-ethyl-2-[(2-hydroxyphenyl)-methoxymethoxy]phenol?
The canonical SMILES for 4-ethyl-2-[(2-hydroxyphenyl)-methoxymethoxy]phenol is CCc1ccc(O)c(OC(OC)c2ccccc2O)c1.
What is the InChIKey of 4-ethyl-2-[(2-hydroxyphenyl)-methoxymethoxy]phenol?
The InChIKey is LEWVSWCTAZJMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O4/c1-3-11-8-9-14(18)15(10-11)20-16(19-2)12-6-4-5-7-13(12)17/h4-10,16-18H,3H2,1-2H3.
What are the key properties of 4-ethyl-2-[(2-hydroxyphenyl)-methoxymethoxy]phenol?
4-ethyl-2-[(2-hydroxyphenyl)-methoxymethoxy]phenol has a molecular weight of 274.32 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[(2-hydroxyphenyl)-methoxymethoxy]phenol is sourced from PubChem (CID 91012605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).