4-[4-methoxy-2-(2-methylpropoxymethyl)phenyl]but-3-yn-1-ol

C16H22O3 — CID 65323850

IUPAC4-[4-methoxy-2-(2-methylpropoxymethyl)phenyl]but-3-yn-1-ol
SMILESCOc1ccc(C#CCCO)c(COCC(C)C)c1
InChIInChI=1S/C16H22O3/c1-13(2)11-19-12-15-10-16(18-3)8-7-14(15)6-4-5-9-17/h7-8,10,13,17H,5,9,11-12H2,1-3H3
InChIKeyFLUYIATXWUTESL-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.60
Rot. Bonds6

About 4-[4-methoxy-2-(2-methylpropoxymethyl)phenyl]but-3-yn-1-ol

4-[4-methoxy-2-(2-methylpropoxymethyl)phenyl]but-3-yn-1-ol (PubChem CID 65323850) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is 4-[4-methoxy-2-(2-methylpropoxymethyl)phenyl]but-3-yn-1-ol.

Molecular Properties

Compound Name4-[4-methoxy-2-(2-methylpropoxymethyl)phenyl]but-3-yn-1-ol
PubChem CID65323850
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name4-[4-methoxy-2-(2-methylpropoxymethyl)phenyl]but-3-yn-1-ol
SMILESCOc1ccc(C#CCCO)c(COCC(C)C)c1
InChIInChI=1S/C16H22O3/c1-13(2)11-19-12-15-10-16(18-3)8-7-14(15)6-4-5-9-17/h7-8,10,13,17H,5,9,11-12H2,1-3H3
InChIKeyFLUYIATXWUTESL-UHFFFAOYSA-N
XLogP2.60
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.60
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

3-[4-methoxy-2-(2-methylpropoxymethyl)phenyl]prop-2-yn-1-ol
CID 65323849
4-[4-methoxy-2-(1-methoxypropan-2-yloxymethyl)phenyl]but-3-yn-1-ol
CID 65322757
4-[4-methoxy-2-(propoxymethyl)phenyl]but-3-yn-1-ol
CID 65323564
4-[4-methoxy-2-(2-methoxyethoxymethyl)phenyl]but-3-yn-1-ol
CID 65323848
4-[4-methoxy-2-[[methyl(propan-2-yl)amino]methyl]phenyl]but-3-yn-1-ol
CID 65322187
4-[2-(furan-2-ylmethoxymethyl)-4-methoxyphenyl]but-3-yn-1-ol
CID 65323507
4-[2-[(dimethylamino)methyl]-4-methoxyphenyl]but-3-yn-1-ol
CID 65322572
4-[4-methoxy-2-(oxolan-2-ylmethoxymethyl)phenyl]but-3-yn-1-ol
CID 65323992
3-[2-(ethoxymethyl)-4-methoxyphenyl]prop-2-yn-1-ol
CID 65323748
4-[4-methoxy-2-(oxolan-3-ylmethoxymethyl)phenyl]but-3-yn-1-ol
CID 65323803
4-[4-methoxy-2-(2-methylbutylsulfanylmethyl)phenyl]but-3-yn-1-ol
CID 107754544
4-[4-methoxy-2-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]phenyl]but-3-yn-1-ol
CID 115987090

Frequently Asked Questions

What is the IUPAC name of 4-[4-methoxy-2-(2-methylpropoxymethyl)phenyl]but-3-yn-1-ol?
The IUPAC name of 4-[4-methoxy-2-(2-methylpropoxymethyl)phenyl]but-3-yn-1-ol (CID 65323850) is 4-[4-methoxy-2-(2-methylpropoxymethyl)phenyl]but-3-yn-1-ol.
What is the SMILES notation for 4-[4-methoxy-2-(2-methylpropoxymethyl)phenyl]but-3-yn-1-ol?
The canonical SMILES for 4-[4-methoxy-2-(2-methylpropoxymethyl)phenyl]but-3-yn-1-ol is COc1ccc(C#CCCO)c(COCC(C)C)c1.
What is the InChIKey of 4-[4-methoxy-2-(2-methylpropoxymethyl)phenyl]but-3-yn-1-ol?
The InChIKey is FLUYIATXWUTESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-13(2)11-19-12-15-10-16(18-3)8-7-14(15)6-4-5-9-17/h7-8,10,13,17H,5,9,11-12H2,1-3H3.
What are the key properties of 4-[4-methoxy-2-(2-methylpropoxymethyl)phenyl]but-3-yn-1-ol?
4-[4-methoxy-2-(2-methylpropoxymethyl)phenyl]but-3-yn-1-ol has a molecular weight of 262.35 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-methoxy-2-(2-methylpropoxymethyl)phenyl]but-3-yn-1-ol is sourced from PubChem (CID 65323850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).