(4-but-3-ynylphenyl)methanol

C11H12O — CID 23596609

IUPAC(4-but-3-ynylphenyl)methanol
SMILESC#CCCc1ccc(CO)cc1
InChIInChI=1S/C11H12O/c1-2-3-4-10-5-7-11(9-12)8-6-10/h1,5-8,12H,3-4,9H2
InChIKeyDIXFBKMHPRWHAT-UHFFFAOYSA-N
MW160.22 g/mol
LogP1.74
Rot. Bonds3

About (4-but-3-ynylphenyl)methanol

(4-but-3-ynylphenyl)methanol (PubChem CID 23596609) has the molecular formula C11H12O and a molecular weight of 160.22 g/mol. Its IUPAC name is (4-but-3-ynylphenyl)methanol.

Molecular Properties

Compound Name(4-but-3-ynylphenyl)methanol
PubChem CID23596609
Molecular FormulaC11H12O
Molecular Weight160.22 g/mol
Exact Mass160.09
IUPAC Name(4-but-3-ynylphenyl)methanol
SMILESC#CCCc1ccc(CO)cc1
InChIInChI=1S/C11H12O/c1-2-3-4-10-5-7-11(9-12)8-6-10/h1,5-8,12H,3-4,9H2
InChIKeyDIXFBKMHPRWHAT-UHFFFAOYSA-N
XLogP1.74
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 51.74
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 (4-but-3-ynylphenyl)methanol?
The IUPAC name of (4-but-3-ynylphenyl)methanol (CID 23596609) is (4-but-3-ynylphenyl)methanol.
What is the SMILES notation for (4-but-3-ynylphenyl)methanol?
The canonical SMILES for (4-but-3-ynylphenyl)methanol is C#CCCc1ccc(CO)cc1.
What is the InChIKey of (4-but-3-ynylphenyl)methanol?
The InChIKey is DIXFBKMHPRWHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O/c1-2-3-4-10-5-7-11(9-12)8-6-10/h1,5-8,12H,3-4,9H2.
What are the key properties of (4-but-3-ynylphenyl)methanol?
(4-but-3-ynylphenyl)methanol has a molecular weight of 160.22 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-but-3-ynylphenyl)methanol is sourced from PubChem (CID 23596609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).