3-methyl-5-prop-2-ynoxyphenol

C10H10O2 — CID 87477485

IUPAC3-methyl-5-prop-2-ynoxyphenol
SMILESC#CCOc1cc(C)cc(O)c1
InChIInChI=1S/C10H10O2/c1-3-4-12-10-6-8(2)5-9(11)7-10/h1,5-7,11H,4H2,2H3
InChIKeyIPNIITPKOKONTR-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.71
Rot. Bonds2

About 3-methyl-5-prop-2-ynoxyphenol

3-methyl-5-prop-2-ynoxyphenol (PubChem CID 87477485) has the molecular formula C10H10O2 and a molecular weight of 162.19 g/mol. Its IUPAC name is 3-methyl-5-prop-2-ynoxyphenol.

Molecular Properties

Compound Name3-methyl-5-prop-2-ynoxyphenol
PubChem CID87477485
Molecular FormulaC10H10O2
Molecular Weight162.19 g/mol
Exact Mass162.07
IUPAC Name3-methyl-5-prop-2-ynoxyphenol
SMILESC#CCOc1cc(C)cc(O)c1
InChIInChI=1S/C10H10O2/c1-3-4-12-10-6-8(2)5-9(11)7-10/h1,5-7,11H,4H2,2H3
InChIKeyIPNIITPKOKONTR-UHFFFAOYSA-N
XLogP1.71
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 ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-prop-2-ynoxyphenol?
The IUPAC name of 3-methyl-5-prop-2-ynoxyphenol (CID 87477485) is 3-methyl-5-prop-2-ynoxyphenol.
What is the SMILES notation for 3-methyl-5-prop-2-ynoxyphenol?
The canonical SMILES for 3-methyl-5-prop-2-ynoxyphenol is C#CCOc1cc(C)cc(O)c1.
What is the InChIKey of 3-methyl-5-prop-2-ynoxyphenol?
The InChIKey is IPNIITPKOKONTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2/c1-3-4-12-10-6-8(2)5-9(11)7-10/h1,5-7,11H,4H2,2H3.
What are the key properties of 3-methyl-5-prop-2-ynoxyphenol?
3-methyl-5-prop-2-ynoxyphenol has a molecular weight of 162.19 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-prop-2-ynoxyphenol is sourced from PubChem (CID 87477485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).