2,3-bis(prop-2-ynoxy)phenol

C12H10O3 — CID 139940757

IUPAC2,3-bis(prop-2-ynoxy)phenol
SMILESC#CCOc1cccc(O)c1OCC#C
InChIInChI=1S/C12H10O3/c1-3-8-14-11-7-5-6-10(13)12(11)15-9-4-2/h1-2,5-7,13H,8-9H2
InChIKeyMOHLSMVQXGTMJX-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.42
Rot. Bonds4

About 2,3-bis(prop-2-ynoxy)phenol

2,3-bis(prop-2-ynoxy)phenol (PubChem CID 139940757) has the molecular formula C12H10O3 and a molecular weight of 202.21 g/mol. Its IUPAC name is 2,3-bis(prop-2-ynoxy)phenol.

Molecular Properties

Compound Name2,3-bis(prop-2-ynoxy)phenol
PubChem CID139940757
Molecular FormulaC12H10O3
Molecular Weight202.21 g/mol
Exact Mass202.06
IUPAC Name2,3-bis(prop-2-ynoxy)phenol
SMILESC#CCOc1cccc(O)c1OCC#C
InChIInChI=1S/C12H10O3/c1-3-8-14-11-7-5-6-10(13)12(11)15-9-4-2/h1-2,5-7,13H,8-9H2
InChIKeyMOHLSMVQXGTMJX-UHFFFAOYSA-N
XLogP1.42
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2,3-bis(prop-2-ynoxy)phenol?
The IUPAC name of 2,3-bis(prop-2-ynoxy)phenol (CID 139940757) is 2,3-bis(prop-2-ynoxy)phenol.
What is the SMILES notation for 2,3-bis(prop-2-ynoxy)phenol?
The canonical SMILES for 2,3-bis(prop-2-ynoxy)phenol is C#CCOc1cccc(O)c1OCC#C.
What is the InChIKey of 2,3-bis(prop-2-ynoxy)phenol?
The InChIKey is MOHLSMVQXGTMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O3/c1-3-8-14-11-7-5-6-10(13)12(11)15-9-4-2/h1-2,5-7,13H,8-9H2.
What are the key properties of 2,3-bis(prop-2-ynoxy)phenol?
2,3-bis(prop-2-ynoxy)phenol has a molecular weight of 202.21 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(prop-2-ynoxy)phenol is sourced from PubChem (CID 139940757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).