3-ethoxy-4-[1-(2-ethoxy-4-hydroxyphenyl)propyl]phenol

C19H24O4 — CID 70566041

IUPAC3-ethoxy-4-[1-(2-ethoxy-4-hydroxyphenyl)propyl]phenol
SMILESCCOc1cc(O)ccc1C(CC)c1ccc(O)cc1OCC
InChIInChI=1S/C19H24O4/c1-4-15(16-9-7-13(20)11-18(16)22-5-2)17-10-8-14(21)12-19(17)23-6-3/h7-12,15,20-21H,4-6H2,1-3H3
InChIKeyHSUZXMGWPMMGEA-UHFFFAOYSA-N
MW316.40 g/mol
LogP4.44
Rot. Bonds7

About 3-ethoxy-4-[1-(2-ethoxy-4-hydroxyphenyl)propyl]phenol

3-ethoxy-4-[1-(2-ethoxy-4-hydroxyphenyl)propyl]phenol (PubChem CID 70566041) has the molecular formula C19H24O4 and a molecular weight of 316.40 g/mol. Its IUPAC name is 3-ethoxy-4-[1-(2-ethoxy-4-hydroxyphenyl)propyl]phenol.

Molecular Properties

Compound Name3-ethoxy-4-[1-(2-ethoxy-4-hydroxyphenyl)propyl]phenol
PubChem CID70566041
Molecular FormulaC19H24O4
Molecular Weight316.40 g/mol
Exact Mass316.17
IUPAC Name3-ethoxy-4-[1-(2-ethoxy-4-hydroxyphenyl)propyl]phenol
SMILESCCOc1cc(O)ccc1C(CC)c1ccc(O)cc1OCC
InChIInChI=1S/C19H24O4/c1-4-15(16-9-7-13(20)11-18(16)22-5-2)17-10-8-14(21)12-19(17)23-6-3/h7-12,15,20-21H,4-6H2,1-3H3
InChIKeyHSUZXMGWPMMGEA-UHFFFAOYSA-N
XLogP4.44
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-bromo-1-(2-ethoxy-4-hydroxyphenyl)propan-2-one
CID 131365350
2-[1-(2,5-dihydroxyphenyl)propyl]benzene-1,4-diol
CID 56611171
3,4,5-triethoxyphenol
CID 19754898
3-methoxy-4-(2-methylpentan-3-yl)phenol
CID 138474413
3-(bromomethyl)-4-ethoxyphenol
CID 141197912
benzaldehyde;2-ethoxybenzene-1,4-diol
CID 159645341
4-ethoxy-3-hydrazinylphenol
CID 131054436
4-ethoxy-3-ethynylphenol
CID 87439266
4-[(1S)-1-aminopropyl]benzene-1,3-diol
CID 55255477
(2-ethoxy-4-hydroxyphenyl) propaneperoxoate
CID 18473891
4-(2,4-dimethoxyphenyl)-3-ethoxyphenol
CID 54469913
4-[(2,4-dimethylphenyl)-[5-[(2,4-dimethylphenyl)-[5-[1-(2,4-dimethylphenyl)ethyl]-4-ethoxy-2-hydroxyphenyl]methyl]-4-ethoxy-2-hydroxyphenyl]methyl]-2-[(2,4-dimethylphenyl)-(2-ethoxy-4-hydroxyphenyl)methyl]-5-ethoxyphenol
CID 88558111

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-[1-(2-ethoxy-4-hydroxyphenyl)propyl]phenol?
The IUPAC name of 3-ethoxy-4-[1-(2-ethoxy-4-hydroxyphenyl)propyl]phenol (CID 70566041) is 3-ethoxy-4-[1-(2-ethoxy-4-hydroxyphenyl)propyl]phenol.
What is the SMILES notation for 3-ethoxy-4-[1-(2-ethoxy-4-hydroxyphenyl)propyl]phenol?
The canonical SMILES for 3-ethoxy-4-[1-(2-ethoxy-4-hydroxyphenyl)propyl]phenol is CCOc1cc(O)ccc1C(CC)c1ccc(O)cc1OCC.
What is the InChIKey of 3-ethoxy-4-[1-(2-ethoxy-4-hydroxyphenyl)propyl]phenol?
The InChIKey is HSUZXMGWPMMGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O4/c1-4-15(16-9-7-13(20)11-18(16)22-5-2)17-10-8-14(21)12-19(17)23-6-3/h7-12,15,20-21H,4-6H2,1-3H3.
What are the key properties of 3-ethoxy-4-[1-(2-ethoxy-4-hydroxyphenyl)propyl]phenol?
3-ethoxy-4-[1-(2-ethoxy-4-hydroxyphenyl)propyl]phenol has a molecular weight of 316.40 g/mol, XLogP of 4.44, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-[1-(2-ethoxy-4-hydroxyphenyl)propyl]phenol is sourced from PubChem (CID 70566041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).