4-[3-methyl-4-(oxolan-3-yloxy)phenyl]but-3-yn-1-ol

C15H18O3 — CID 63563810

IUPAC4-[3-methyl-4-(oxolan-3-yloxy)phenyl]but-3-yn-1-ol
SMILESCc1cc(C#CCCO)ccc1OC1CCOC1
InChIInChI=1S/C15H18O3/c1-12-10-13(4-2-3-8-16)5-6-15(12)18-14-7-9-17-11-14/h5-6,10,14,16H,3,7-9,11H2,1H3
InChIKeyWEVDJOGIWULVIP-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.90
Rot. Bonds3

About 4-[3-methyl-4-(oxolan-3-yloxy)phenyl]but-3-yn-1-ol

4-[3-methyl-4-(oxolan-3-yloxy)phenyl]but-3-yn-1-ol (PubChem CID 63563810) has the molecular formula C15H18O3 and a molecular weight of 246.31 g/mol. Its IUPAC name is 4-[3-methyl-4-(oxolan-3-yloxy)phenyl]but-3-yn-1-ol.

Molecular Properties

Compound Name4-[3-methyl-4-(oxolan-3-yloxy)phenyl]but-3-yn-1-ol
PubChem CID63563810
Molecular FormulaC15H18O3
Molecular Weight246.31 g/mol
Exact Mass246.13
IUPAC Name4-[3-methyl-4-(oxolan-3-yloxy)phenyl]but-3-yn-1-ol
SMILESCc1cc(C#CCCO)ccc1OC1CCOC1
InChIInChI=1S/C15H18O3/c1-12-10-13(4-2-3-8-16)5-6-15(12)18-14-7-9-17-11-14/h5-6,10,14,16H,3,7-9,11H2,1H3
InChIKeyWEVDJOGIWULVIP-UHFFFAOYSA-N
XLogP1.90
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.90
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

4-[3-methyl-4-(oxan-4-yloxy)phenyl]but-3-yn-1-ol
CID 63937286
3-[3-methyl-4-(oxan-4-yloxy)phenyl]prop-2-yn-1-ol
CID 63937093
4-[4-(3,4-dimethylcyclohexyl)oxy-3-methylphenyl]but-3-yn-1-ol
CID 64738452
4-[4-(3-chloroprop-1-ynyl)-2-methylphenoxy]oxane
CID 63935497
4-[4-(cyclopropylmethoxy)-3-methylphenyl]but-3-yn-1-ol
CID 63214585
3-(4-cyclohexyloxy-3-methylphenyl)prop-2-yn-1-ol
CID 63214410
4-[4-(oxan-4-yloxy)phenyl]but-3-yn-1-ol
CID 63936692
4-[4-(2,2-difluoroethoxy)-3-methylphenyl]but-3-yn-1-ol
CID 63214588
4-[4-(2-fluoroethoxy)-3-methylphenyl]but-3-yn-1-ol
CID 80694952
4-[4-(3-methoxypropoxy)-3-methylphenyl]but-3-yn-1-ol
CID 55163667
4-[4-[2-(dimethylamino)ethoxy]-3-methylphenyl]but-3-yn-1-ol
CID 63214502
4-[4-(2-butoxyethoxy)-3-methylphenyl]but-3-yn-1-ol
CID 63214238

Frequently Asked Questions

What is the IUPAC name of 4-[3-methyl-4-(oxolan-3-yloxy)phenyl]but-3-yn-1-ol?
The IUPAC name of 4-[3-methyl-4-(oxolan-3-yloxy)phenyl]but-3-yn-1-ol (CID 63563810) is 4-[3-methyl-4-(oxolan-3-yloxy)phenyl]but-3-yn-1-ol.
What is the SMILES notation for 4-[3-methyl-4-(oxolan-3-yloxy)phenyl]but-3-yn-1-ol?
The canonical SMILES for 4-[3-methyl-4-(oxolan-3-yloxy)phenyl]but-3-yn-1-ol is Cc1cc(C#CCCO)ccc1OC1CCOC1.
What is the InChIKey of 4-[3-methyl-4-(oxolan-3-yloxy)phenyl]but-3-yn-1-ol?
The InChIKey is WEVDJOGIWULVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O3/c1-12-10-13(4-2-3-8-16)5-6-15(12)18-14-7-9-17-11-14/h5-6,10,14,16H,3,7-9,11H2,1H3.
What are the key properties of 4-[3-methyl-4-(oxolan-3-yloxy)phenyl]but-3-yn-1-ol?
4-[3-methyl-4-(oxolan-3-yloxy)phenyl]but-3-yn-1-ol has a molecular weight of 246.31 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-methyl-4-(oxolan-3-yloxy)phenyl]but-3-yn-1-ol is sourced from PubChem (CID 63563810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).