4-ethoxy-3-ethynylphenol

C10H10O2 — CID 87439266

IUPAC4-ethoxy-3-ethynylphenol
SMILESC#Cc1cc(O)ccc1OCC
InChIInChI=1S/C10H10O2/c1-3-8-7-9(11)5-6-10(8)12-4-2/h1,5-7,11H,4H2,2H3
InChIKeyBRBZBQUZIOXKRB-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.77
Rot. Bonds2

About 4-ethoxy-3-ethynylphenol

4-ethoxy-3-ethynylphenol (PubChem CID 87439266) has the molecular formula C10H10O2 and a molecular weight of 162.19 g/mol. Its IUPAC name is 4-ethoxy-3-ethynylphenol.

Molecular Properties

Compound Name4-ethoxy-3-ethynylphenol
PubChem CID87439266
Molecular FormulaC10H10O2
Molecular Weight162.19 g/mol
Exact Mass162.07
IUPAC Name4-ethoxy-3-ethynylphenol
SMILESC#Cc1cc(O)ccc1OCC
InChIInChI=1S/C10H10O2/c1-3-8-7-9(11)5-6-10(8)12-4-2/h1,5-7,11H,4H2,2H3
InChIKeyBRBZBQUZIOXKRB-UHFFFAOYSA-N
XLogP1.77
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-chloro-1-ethoxy-2-ethynylbenzene
CID 118337292
4-ethoxy-3-ethynylbenzoic acid
CID 138986371
3-(bromomethyl)-4-ethoxyphenol
CID 141197912
4-ethoxy-3-hydrazinylphenol
CID 131054436
4-ethoxy-3-prop-1-enylphenol
CID 67507347
3-ethoxy-4-[1-(2-ethoxy-4-hydroxyphenyl)propyl]phenol
CID 70566041
(2-ethoxy-4-hydroxyphenyl) propaneperoxoate
CID 18473891
3-ethoxy-2-fluoro-5-hydroxybenzonitrile
CID 18444762
2-ethynyl-1,4-bis[(2S)-2-methylbutoxy]benzene
CID 173221202
4-tert-butyl-1-[40-(4-tert-butyl-2-ethynylphenoxy)tetracontoxy]-2-ethynylbenzene
CID 11643656
3,4,5-triethoxyphenol
CID 19754898
2-ethynyl-4-methoxy-1-phenylmethoxybenzene
CID 154814757

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-ethynylphenol?
The IUPAC name of 4-ethoxy-3-ethynylphenol (CID 87439266) is 4-ethoxy-3-ethynylphenol.
What is the SMILES notation for 4-ethoxy-3-ethynylphenol?
The canonical SMILES for 4-ethoxy-3-ethynylphenol is C#Cc1cc(O)ccc1OCC.
What is the InChIKey of 4-ethoxy-3-ethynylphenol?
The InChIKey is BRBZBQUZIOXKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2/c1-3-8-7-9(11)5-6-10(8)12-4-2/h1,5-7,11H,4H2,2H3.
What are the key properties of 4-ethoxy-3-ethynylphenol?
4-ethoxy-3-ethynylphenol has a molecular weight of 162.19 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-ethynylphenol is sourced from PubChem (CID 87439266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).