2-but-3-ynylphenol

C10H10O — CID 14956073

IUPAC2-but-3-ynylphenol
SMILESC#CCCc1ccccc1O
InChIInChI=1S/C10H10O/c1-2-3-6-9-7-4-5-8-10(9)11/h1,4-5,7-8,11H,3,6H2
InChIKeyPRERQKVRYGLSIP-UHFFFAOYSA-N
MW146.19 g/mol
LogP1.96
Rot. Bonds2

About 2-but-3-ynylphenol

2-but-3-ynylphenol (PubChem CID 14956073) has the molecular formula C10H10O and a molecular weight of 146.19 g/mol. Its IUPAC name is 2-but-3-ynylphenol.

Molecular Properties

Compound Name2-but-3-ynylphenol
PubChem CID14956073
Molecular FormulaC10H10O
Molecular Weight146.19 g/mol
Exact Mass146.07
IUPAC Name2-but-3-ynylphenol
SMILESC#CCCc1ccccc1O
InChIInChI=1S/C10H10O/c1-2-3-6-9-7-4-5-8-10(9)11/h1,4-5,7-8,11H,3,6H2
InChIKeyPRERQKVRYGLSIP-UHFFFAOYSA-N
XLogP1.96
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 ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-prop-2-ynylphenol
CID 11658299
CID 175749710
CID 175749710
1-but-3-ynyl-2-[4-(2-but-3-ynylphenyl)buta-1,3-diynyl]benzene
CID 134836669
hexa-1,5-diyne;phenol
CID 87989420
1-but-3-ynyl-2-iodo-3-methylbenzene
CID 134897969
2-(2-phenylethyl)phenol;hydrate
CID 157150935
2-(3-iodopropyl)phenol
CID 72722847
1-but-3-ynyl-9H-carbazole
CID 173036439
1-but-3-ynyl-2-pentoxybenzene
CID 11665685
2-hydroxy-4-(2-hydroxyphenyl)butanenitrile
CID 19702741
1-pent-4-ynyl-2-phenylbenzene
CID 174539283
1-phenylhept-6-yn-3-ol
CID 63657298

Frequently Asked Questions

What is the IUPAC name of 2-but-3-ynylphenol?
The IUPAC name of 2-but-3-ynylphenol (CID 14956073) is 2-but-3-ynylphenol.
What is the SMILES notation for 2-but-3-ynylphenol?
The canonical SMILES for 2-but-3-ynylphenol is C#CCCc1ccccc1O.
What is the InChIKey of 2-but-3-ynylphenol?
The InChIKey is PRERQKVRYGLSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O/c1-2-3-6-9-7-4-5-8-10(9)11/h1,4-5,7-8,11H,3,6H2.
What are the key properties of 2-but-3-ynylphenol?
2-but-3-ynylphenol has a molecular weight of 146.19 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-ynylphenol is sourced from PubChem (CID 14956073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).