4-(4-ethoxyphenoxy)-3-propan-2-ylphenol

C17H20O3 — CID 21466412

IUPAC4-(4-ethoxyphenoxy)-3-propan-2-ylphenol
SMILESCCOc1ccc(Oc2ccc(O)cc2C(C)C)cc1
InChIInChI=1S/C17H20O3/c1-4-19-14-6-8-15(9-7-14)20-17-10-5-13(18)11-16(17)12(2)3/h5-12,18H,4H2,1-3H3
InChIKeyPMOZZGNJWBWAEU-UHFFFAOYSA-N
MW272.34 g/mol
LogP4.71
Rot. Bonds5

About 4-(4-ethoxyphenoxy)-3-propan-2-ylphenol

4-(4-ethoxyphenoxy)-3-propan-2-ylphenol (PubChem CID 21466412) has the molecular formula C17H20O3 and a molecular weight of 272.34 g/mol. Its IUPAC name is 4-(4-ethoxyphenoxy)-3-propan-2-ylphenol.

Molecular Properties

Compound Name4-(4-ethoxyphenoxy)-3-propan-2-ylphenol
PubChem CID21466412
Molecular FormulaC17H20O3
Molecular Weight272.34 g/mol
Exact Mass272.14
IUPAC Name4-(4-ethoxyphenoxy)-3-propan-2-ylphenol
SMILESCCOc1ccc(Oc2ccc(O)cc2C(C)C)cc1
InChIInChI=1S/C17H20O3/c1-4-19-14-6-8-15(9-7-14)20-17-10-5-13(18)11-16(17)12(2)3/h5-12,18H,4H2,1-3H3
InChIKeyPMOZZGNJWBWAEU-UHFFFAOYSA-N
XLogP4.71
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-diethoxy-2-propan-2-ylbenzene
CID 129196403
4-(4-ethoxyphenoxy)-1-phenylmethoxy-2-propan-2-ylbenzene
CID 21466253
3-(difluoromethyl)-4-(4-ethoxyphenoxy)aniline
CID 63736549
[3,5-dichloro-4-(4-hydroxy-2-propan-2-ylphenoxy)phenoxy]methylphosphonic acid
CID 141114258
4-[2-butan-2-yl-4-[2-[3-butan-2-yl-4-(4-hydroxyphenoxy)phenyl]propan-2-yl]phenoxy]phenol
CID 139764904
1-[3-chloro-4-(4-ethoxyphenoxy)phenyl]-N-methylethanamine
CID 62912758
2-butan-2-yl-4-(4-ethoxyphenoxy)phenol
CID 21466417
(1R)-1-[2-(4-ethoxyphenoxy)phenyl]propan-1-ol
CID 103960453
1-(3,3-dibromoprop-2-enoxy)-4-(4-ethoxyphenoxy)-5-propan-2-yl-2-propylbenzene
CID 21466485
(1S)-1-[3-bromo-4-(4-ethoxyphenoxy)phenyl]ethanamine
CID 78937841
2-chloro-1-[4-(3,3-dibromoprop-2-enoxy)-3-propan-2-ylphenoxy]-4-ethoxybenzene
CID 21466555
4-ethoxy-2-methoxy-1-propan-2-ylbenzene
CID 176811601

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyphenoxy)-3-propan-2-ylphenol?
The IUPAC name of 4-(4-ethoxyphenoxy)-3-propan-2-ylphenol (CID 21466412) is 4-(4-ethoxyphenoxy)-3-propan-2-ylphenol.
What is the SMILES notation for 4-(4-ethoxyphenoxy)-3-propan-2-ylphenol?
The canonical SMILES for 4-(4-ethoxyphenoxy)-3-propan-2-ylphenol is CCOc1ccc(Oc2ccc(O)cc2C(C)C)cc1.
What is the InChIKey of 4-(4-ethoxyphenoxy)-3-propan-2-ylphenol?
The InChIKey is PMOZZGNJWBWAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O3/c1-4-19-14-6-8-15(9-7-14)20-17-10-5-13(18)11-16(17)12(2)3/h5-12,18H,4H2,1-3H3.
What are the key properties of 4-(4-ethoxyphenoxy)-3-propan-2-ylphenol?
4-(4-ethoxyphenoxy)-3-propan-2-ylphenol has a molecular weight of 272.34 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyphenoxy)-3-propan-2-ylphenol is sourced from PubChem (CID 21466412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).