4-[[4-(1-ethoxyethoxy)phenyl]methyl]phenol

C17H20O3 — CID 23546598

IUPAC4-[[4-(1-ethoxyethoxy)phenyl]methyl]phenol
SMILESCCOC(C)Oc1ccc(Cc2ccc(O)cc2)cc1
InChIInChI=1S/C17H20O3/c1-3-19-13(2)20-17-10-6-15(7-11-17)12-14-4-8-16(18)9-5-14/h4-11,13,18H,3,12H2,1-2H3
InChIKeyJJFKNTWXGQKSNR-UHFFFAOYSA-N
MW272.34 g/mol
LogP3.74
Rot. Bonds6

About 4-[[4-(1-ethoxyethoxy)phenyl]methyl]phenol

4-[[4-(1-ethoxyethoxy)phenyl]methyl]phenol (PubChem CID 23546598) has the molecular formula C17H20O3 and a molecular weight of 272.34 g/mol. Its IUPAC name is 4-[[4-(1-ethoxyethoxy)phenyl]methyl]phenol.

Molecular Properties

Compound Name4-[[4-(1-ethoxyethoxy)phenyl]methyl]phenol
PubChem CID23546598
Molecular FormulaC17H20O3
Molecular Weight272.34 g/mol
Exact Mass272.14
IUPAC Name4-[[4-(1-ethoxyethoxy)phenyl]methyl]phenol
SMILESCCOC(C)Oc1ccc(Cc2ccc(O)cc2)cc1
InChIInChI=1S/C17H20O3/c1-3-19-13(2)20-17-10-6-15(7-11-17)12-14-4-8-16(18)9-5-14/h4-11,13,18H,3,12H2,1-2H3
InChIKeyJJFKNTWXGQKSNR-UHFFFAOYSA-N
XLogP3.74
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,4-bis(1-ethoxyethoxy)benzene
CID 10934047
ethane;1-ethoxyethoxybenzene;phenol;propane
CID 162122955
4-[4-[4-(1-ethoxyethoxy)phenyl]hexan-2-yl]phenol
CID 23556512
1,4-bis[bis[4-(1-ethoxyethoxy)phenyl]methyl]benzene
CID 90276539
4-(1-ethoxyethoxy)aniline
CID 139920192
benzene;ethane;1-ethoxyethoxybenzene;1-ethoxy-1-methoxyethane;1-methoxyethoxybenzene;phenol;propane
CID 163693929
4-[1-(4-ethenylphenoxy)ethoxymethyl]phenol
CID 89096007
1-(1-ethoxyethoxy)-4-[4-(1-ethoxyethoxy)phenyl]tellanylbenzene
CID 140901390
1-butan-2-yl-4-(1-ethoxyethoxy)benzene;4-butan-2-ylphenol;(4-butan-2-ylphenyl) methyl carbonate
CID 91394144
1-[1,1-bis[4-(1-ethoxyethoxy)phenyl]ethyl]-4-(1-ethoxyethoxy)benzene
CID 22726285
4-methylpentyl 2-[4-(1-ethoxyethoxy)phenyl]acetate
CID 22895835
2-amino-1-[4-(1-ethoxyethoxy)phenyl]ethanol
CID 11379114

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(1-ethoxyethoxy)phenyl]methyl]phenol?
The IUPAC name of 4-[[4-(1-ethoxyethoxy)phenyl]methyl]phenol (CID 23546598) is 4-[[4-(1-ethoxyethoxy)phenyl]methyl]phenol.
What is the SMILES notation for 4-[[4-(1-ethoxyethoxy)phenyl]methyl]phenol?
The canonical SMILES for 4-[[4-(1-ethoxyethoxy)phenyl]methyl]phenol is CCOC(C)Oc1ccc(Cc2ccc(O)cc2)cc1.
What is the InChIKey of 4-[[4-(1-ethoxyethoxy)phenyl]methyl]phenol?
The InChIKey is JJFKNTWXGQKSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O3/c1-3-19-13(2)20-17-10-6-15(7-11-17)12-14-4-8-16(18)9-5-14/h4-11,13,18H,3,12H2,1-2H3.
What are the key properties of 4-[[4-(1-ethoxyethoxy)phenyl]methyl]phenol?
4-[[4-(1-ethoxyethoxy)phenyl]methyl]phenol has a molecular weight of 272.34 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(1-ethoxyethoxy)phenyl]methyl]phenol is sourced from PubChem (CID 23546598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).