(2-ethynyl-5-methoxyphenyl)methanol

C10H10O2 — CID 24975369

IUPAC(2-ethynyl-5-methoxyphenyl)methanol
SMILESC#Cc1ccc(OC)cc1CO
InChIInChI=1S/C10H10O2/c1-3-8-4-5-10(12-2)6-9(8)7-11/h1,4-6,11H,7H2,2H3
InChIKeyFZJLXTSBINZMSK-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.17
Rot. Bonds2

About (2-ethynyl-5-methoxyphenyl)methanol

(2-ethynyl-5-methoxyphenyl)methanol (PubChem CID 24975369) has the molecular formula C10H10O2 and a molecular weight of 162.19 g/mol. Its IUPAC name is (2-ethynyl-5-methoxyphenyl)methanol.

Molecular Properties

Compound Name(2-ethynyl-5-methoxyphenyl)methanol
PubChem CID24975369
Molecular FormulaC10H10O2
Molecular Weight162.19 g/mol
Exact Mass162.07
IUPAC Name(2-ethynyl-5-methoxyphenyl)methanol
SMILESC#Cc1ccc(OC)cc1CO
InChIInChI=1S/C10H10O2/c1-3-8-4-5-10(12-2)6-9(8)7-11/h1,4-6,11H,7H2,2H3
InChIKeyFZJLXTSBINZMSK-UHFFFAOYSA-N
XLogP1.17
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 ≤ 51.17
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 (2-ethynyl-5-methoxyphenyl)methanol?
The IUPAC name of (2-ethynyl-5-methoxyphenyl)methanol (CID 24975369) is (2-ethynyl-5-methoxyphenyl)methanol.
What is the SMILES notation for (2-ethynyl-5-methoxyphenyl)methanol?
The canonical SMILES for (2-ethynyl-5-methoxyphenyl)methanol is C#Cc1ccc(OC)cc1CO.
What is the InChIKey of (2-ethynyl-5-methoxyphenyl)methanol?
The InChIKey is FZJLXTSBINZMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2/c1-3-8-4-5-10(12-2)6-9(8)7-11/h1,4-6,11H,7H2,2H3.
What are the key properties of (2-ethynyl-5-methoxyphenyl)methanol?
(2-ethynyl-5-methoxyphenyl)methanol has a molecular weight of 162.19 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethynyl-5-methoxyphenyl)methanol is sourced from PubChem (CID 24975369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).