(3-prop-2-ynylphenyl)methanol

C10H10O — CID 18624825

IUPAC(3-prop-2-ynylphenyl)methanol
SMILESC#CCc1cccc(CO)c1
InChIInChI=1S/C10H10O/c1-2-4-9-5-3-6-10(7-9)8-11/h1,3,5-7,11H,4,8H2
InChIKeyJQAYYDGYBZAIAK-UHFFFAOYSA-N
MW146.19 g/mol
LogP1.35
Rot. Bonds2

About (3-prop-2-ynylphenyl)methanol

(3-prop-2-ynylphenyl)methanol (PubChem CID 18624825) has the molecular formula C10H10O and a molecular weight of 146.19 g/mol. Its IUPAC name is (3-prop-2-ynylphenyl)methanol.

Molecular Properties

Compound Name(3-prop-2-ynylphenyl)methanol
PubChem CID18624825
Molecular FormulaC10H10O
Molecular Weight146.19 g/mol
Exact Mass146.07
IUPAC Name(3-prop-2-ynylphenyl)methanol
SMILESC#CCc1cccc(CO)c1
InChIInChI=1S/C10H10O/c1-2-4-9-5-3-6-10(7-9)8-11/h1,3,5-7,11H,4,8H2
InChIKeyJQAYYDGYBZAIAK-UHFFFAOYSA-N
XLogP1.35
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-prop-2-ynylphenyl)methanol?
The IUPAC name of (3-prop-2-ynylphenyl)methanol (CID 18624825) is (3-prop-2-ynylphenyl)methanol.
What is the SMILES notation for (3-prop-2-ynylphenyl)methanol?
The canonical SMILES for (3-prop-2-ynylphenyl)methanol is C#CCc1cccc(CO)c1.
What is the InChIKey of (3-prop-2-ynylphenyl)methanol?
The InChIKey is JQAYYDGYBZAIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O/c1-2-4-9-5-3-6-10(7-9)8-11/h1,3,5-7,11H,4,8H2.
What are the key properties of (3-prop-2-ynylphenyl)methanol?
(3-prop-2-ynylphenyl)methanol has a molecular weight of 146.19 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-prop-2-ynylphenyl)methanol is sourced from PubChem (CID 18624825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).