2-ethoxy-6-pent-4-yn-2-ylphenol

C13H16O2 — CID 83930730

IUPAC2-ethoxy-6-pent-4-yn-2-ylphenol
SMILESC#CCC(C)c1cccc(OCC)c1O
InChIInChI=1S/C13H16O2/c1-4-7-10(3)11-8-6-9-12(13(11)14)15-5-2/h1,6,8-10,14H,5,7H2,2-3H3
InChIKeyLPJLTNRUYWRAEQ-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.92
Rot. Bonds4

About 2-ethoxy-6-pent-4-yn-2-ylphenol

2-ethoxy-6-pent-4-yn-2-ylphenol (PubChem CID 83930730) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-ethoxy-6-pent-4-yn-2-ylphenol.

Molecular Properties

Compound Name2-ethoxy-6-pent-4-yn-2-ylphenol
PubChem CID83930730
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name2-ethoxy-6-pent-4-yn-2-ylphenol
SMILESC#CCC(C)c1cccc(OCC)c1O
InChIInChI=1S/C13H16O2/c1-4-7-10(3)11-8-6-9-12(13(11)14)15-5-2/h1,6,8-10,14H,5,7H2,2-3H3
InChIKeyLPJLTNRUYWRAEQ-UHFFFAOYSA-N
XLogP2.92
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.92
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

2-ethoxy-6-[(1S)-1-hydroxyethyl]phenol
CID 130740621
2-ethoxy-6-[(1R)-1-hydroxyethyl]phenol
CID 130649136
2-ethoxy-6-[(Z)-hex-4-en-2-yl]phenol
CID 83930787
1-methoxy-2-pent-4-yn-2-ylbenzene
CID 83929027
2-[(1R)-1-aminopropyl]-6-ethoxyphenol;hydrochloride
CID 171216004
2-[(1R)-1-amino-2-fluoroethyl]-6-ethoxyphenol;hydrochloride
CID 171235629
2-(3-ethoxy-2-hydroxyphenyl)-2-hydroxyacetic acid
CID 67418019
1-bromo-2,4-diethoxy-5-pent-4-yn-2-ylbenzene
CID 83934160
2-ethoxy-6-methylphenol
CID 14911944
2-(diethylamino)-2-(3-ethoxy-2-hydroxyphenyl)ethanethioamide
CID 84758191
2-ethoxy-6-iodophenol
CID 171366674
2-ethoxy-6-hex-5-en-3-ylphenol
CID 83930785

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-pent-4-yn-2-ylphenol?
The IUPAC name of 2-ethoxy-6-pent-4-yn-2-ylphenol (CID 83930730) is 2-ethoxy-6-pent-4-yn-2-ylphenol.
What is the SMILES notation for 2-ethoxy-6-pent-4-yn-2-ylphenol?
The canonical SMILES for 2-ethoxy-6-pent-4-yn-2-ylphenol is C#CCC(C)c1cccc(OCC)c1O.
What is the InChIKey of 2-ethoxy-6-pent-4-yn-2-ylphenol?
The InChIKey is LPJLTNRUYWRAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-4-7-10(3)11-8-6-9-12(13(11)14)15-5-2/h1,6,8-10,14H,5,7H2,2-3H3.
What are the key properties of 2-ethoxy-6-pent-4-yn-2-ylphenol?
2-ethoxy-6-pent-4-yn-2-ylphenol has a molecular weight of 204.27 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-pent-4-yn-2-ylphenol is sourced from PubChem (CID 83930730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).