(2-but-3-ynoxy-5-methoxyphenyl)methanol

C12H14O3 — CID 43268037

IUPAC(2-but-3-ynoxy-5-methoxyphenyl)methanol
SMILESC#CCCOc1ccc(OC)cc1CO
InChIInChI=1S/C12H14O3/c1-3-4-7-15-12-6-5-11(14-2)8-10(12)9-13/h1,5-6,8,13H,4,7,9H2,2H3
InChIKeyRLENGUITTNINNA-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.59
Rot. Bonds5

About (2-but-3-ynoxy-5-methoxyphenyl)methanol

(2-but-3-ynoxy-5-methoxyphenyl)methanol (PubChem CID 43268037) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is (2-but-3-ynoxy-5-methoxyphenyl)methanol.

Molecular Properties

Compound Name(2-but-3-ynoxy-5-methoxyphenyl)methanol
PubChem CID43268037
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name(2-but-3-ynoxy-5-methoxyphenyl)methanol
SMILESC#CCCOc1ccc(OC)cc1CO
InChIInChI=1S/C12H14O3/c1-3-4-7-15-12-6-5-11(14-2)8-10(12)9-13/h1,5-6,8,13H,4,7,9H2,2H3
InChIKeyRLENGUITTNINNA-UHFFFAOYSA-N
XLogP1.59
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(hydroxymethyl)-4-methoxyphenoxy]butanenitrile
CID 43267979
[5-methoxy-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methanol
CID 112590012
[5-methoxy-2-(2-methylsulfonylethoxy)phenyl]methanol
CID 60915794
[2-[2-(diethylamino)ethoxy]-5-methoxyphenyl]methanol
CID 43267964
1-(5-methoxy-2-pent-4-ynoxyphenyl)propan-2-amine
CID 113374413
1-(2-but-3-ynoxy-4-methoxyphenyl)propan-2-amine
CID 61269126
3-[2-(hydroxymethyl)-4-methoxyphenoxy]-N,N-dimethylpropanamide
CID 54879094
[5-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]methanol
CID 43268000
[2-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methanol
CID 43267981
1-[2-(hydroxymethyl)-4-methoxyphenoxy]butan-2-ol
CID 60886437
2-[2-(hydroxymethyl)-4-methoxyphenoxy]-1-pyrrolidin-1-ylethanone
CID 43268016
[5-methoxy-2-[2-(oxolan-2-yl)ethoxy]phenyl]methanol
CID 65163081

Frequently Asked Questions

What is the IUPAC name of (2-but-3-ynoxy-5-methoxyphenyl)methanol?
The IUPAC name of (2-but-3-ynoxy-5-methoxyphenyl)methanol (CID 43268037) is (2-but-3-ynoxy-5-methoxyphenyl)methanol.
What is the SMILES notation for (2-but-3-ynoxy-5-methoxyphenyl)methanol?
The canonical SMILES for (2-but-3-ynoxy-5-methoxyphenyl)methanol is C#CCCOc1ccc(OC)cc1CO.
What is the InChIKey of (2-but-3-ynoxy-5-methoxyphenyl)methanol?
The InChIKey is RLENGUITTNINNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c1-3-4-7-15-12-6-5-11(14-2)8-10(12)9-13/h1,5-6,8,13H,4,7,9H2,2H3.
What are the key properties of (2-but-3-ynoxy-5-methoxyphenyl)methanol?
(2-but-3-ynoxy-5-methoxyphenyl)methanol has a molecular weight of 206.24 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-but-3-ynoxy-5-methoxyphenyl)methanol is sourced from PubChem (CID 43268037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).