1-(furan-2-yl)-1-(4-methoxyphenyl)prop-2-yn-1-ol

C14H12O3 — CID 59942989

IUPAC1-(furan-2-yl)-1-(4-methoxyphenyl)prop-2-yn-1-ol
SMILESC#CC(O)(c1ccc(OC)cc1)c1ccco1
InChIInChI=1S/C14H12O3/c1-3-14(15,13-5-4-10-17-13)11-6-8-12(16-2)9-7-11/h1,4-10,15H,2H3
InChIKeyRWHAIGCWMAUQNL-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.16
Rot. Bonds3

About 1-(furan-2-yl)-1-(4-methoxyphenyl)prop-2-yn-1-ol

1-(furan-2-yl)-1-(4-methoxyphenyl)prop-2-yn-1-ol (PubChem CID 59942989) has the molecular formula C14H12O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is 1-(furan-2-yl)-1-(4-methoxyphenyl)prop-2-yn-1-ol.

Molecular Properties

Compound Name1-(furan-2-yl)-1-(4-methoxyphenyl)prop-2-yn-1-ol
PubChem CID59942989
Molecular FormulaC14H12O3
Molecular Weight228.25 g/mol
Exact Mass228.08
IUPAC Name1-(furan-2-yl)-1-(4-methoxyphenyl)prop-2-yn-1-ol
SMILESC#CC(O)(c1ccc(OC)cc1)c1ccco1
InChIInChI=1S/C14H12O3/c1-3-14(15,13-5-4-10-17-13)11-6-8-12(16-2)9-7-11/h1,4-10,15H,2H3
InChIKeyRWHAIGCWMAUQNL-UHFFFAOYSA-N
XLogP2.16
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-fluoro-4-methoxyphenyl)-1-(furan-2-yl)prop-2-yn-1-ol
CID 59942973
1-[4-[4-[1-hydroxy-1-(4-methoxyphenyl)prop-2-ynyl]phenyl]phenyl]-1-(4-methoxyphenyl)prop-2-yn-1-ol
CID 169006869
2,2,3,3,3-pentafluoro-1-(furan-2-yl)-1-(4-methoxyphenyl)propan-1-ol
CID 162511568
2-(furan-2-yl)-1-[(4-methoxyphenyl)methylamino]propan-2-ol
CID 111468637
1-(3,5-difluoro-4-methoxyphenyl)-1-(4-methoxyphenyl)prop-2-yn-1-ol
CID 54059854
1-(4-methoxyphenyl)-1,3-diphenylprop-2-yn-1-ol
CID 2931271
1-(4-methoxyphenyl)-1,2,2-triphenylethane-1,2-diol
CID 70611668
2-(furan-2-yl)propan-2-ol;methoxymethane
CID 174924617
1-ethyl-3-[2-(furan-2-yl)-2-hydroxypropyl]-2-[2-(4-methoxyphenyl)-2-methylpropyl]guanidine
CID 111672590
1-ethyl-3-[2-(furan-2-yl)-2-hydroxypropyl]-2-[(4-methoxyphenyl)methyl]guanidine
CID 111511753
1-methoxy-4-[1-methoxy-1-(4-methoxyphenyl)prop-2-ynyl]benzene
CID 148766498
1,1,1,3,3,3-hexadeuterio-2-(4-methoxyphenyl)propan-2-ol
CID 71313445

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-1-(4-methoxyphenyl)prop-2-yn-1-ol?
The IUPAC name of 1-(furan-2-yl)-1-(4-methoxyphenyl)prop-2-yn-1-ol (CID 59942989) is 1-(furan-2-yl)-1-(4-methoxyphenyl)prop-2-yn-1-ol.
What is the SMILES notation for 1-(furan-2-yl)-1-(4-methoxyphenyl)prop-2-yn-1-ol?
The canonical SMILES for 1-(furan-2-yl)-1-(4-methoxyphenyl)prop-2-yn-1-ol is C#CC(O)(c1ccc(OC)cc1)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-1-(4-methoxyphenyl)prop-2-yn-1-ol?
The InChIKey is RWHAIGCWMAUQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O3/c1-3-14(15,13-5-4-10-17-13)11-6-8-12(16-2)9-7-11/h1,4-10,15H,2H3.
What are the key properties of 1-(furan-2-yl)-1-(4-methoxyphenyl)prop-2-yn-1-ol?
1-(furan-2-yl)-1-(4-methoxyphenyl)prop-2-yn-1-ol has a molecular weight of 228.25 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-1-(4-methoxyphenyl)prop-2-yn-1-ol is sourced from PubChem (CID 59942989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).