3-[5-methoxy-2-(oxolan-2-ylmethoxy)phenyl]prop-2-yn-1-ol

C15H18O4 — CID 104706417

IUPAC3-[5-methoxy-2-(oxolan-2-ylmethoxy)phenyl]prop-2-yn-1-ol
SMILESCOc1ccc(OCC2CCCO2)c(C#CCO)c1
InChIInChI=1S/C15H18O4/c1-17-13-6-7-15(12(10-13)4-2-8-16)19-11-14-5-3-9-18-14/h6-7,10,14,16H,3,5,8-9,11H2,1H3
InChIKeyHUXRJHSQIFWERU-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.60
Rot. Bonds4

About 3-[5-methoxy-2-(oxolan-2-ylmethoxy)phenyl]prop-2-yn-1-ol

3-[5-methoxy-2-(oxolan-2-ylmethoxy)phenyl]prop-2-yn-1-ol (PubChem CID 104706417) has the molecular formula C15H18O4 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-[5-methoxy-2-(oxolan-2-ylmethoxy)phenyl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[5-methoxy-2-(oxolan-2-ylmethoxy)phenyl]prop-2-yn-1-ol
PubChem CID104706417
Molecular FormulaC15H18O4
Molecular Weight262.31 g/mol
Exact Mass262.12
IUPAC Name3-[5-methoxy-2-(oxolan-2-ylmethoxy)phenyl]prop-2-yn-1-ol
SMILESCOc1ccc(OCC2CCCO2)c(C#CCO)c1
InChIInChI=1S/C15H18O4/c1-17-13-6-7-15(12(10-13)4-2-8-16)19-11-14-5-3-9-18-14/h6-7,10,14,16H,3,5,8-9,11H2,1H3
InChIKeyHUXRJHSQIFWERU-UHFFFAOYSA-N
XLogP1.60
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(3-chloroprop-1-ynyl)-4-methoxyphenoxy]methyl]oxane
CID 104706796
2-[(2-bromo-4-methoxyphenoxy)methyl]oxolane
CID 104705218
[5-methoxy-2-(oxan-2-ylmethoxy)phenyl]methanol
CID 43591968
3-[5-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]prop-2-yn-1-amine
CID 104706850
3-[2-fluoro-4-(oxolan-2-ylmethoxy)phenyl]prop-2-yn-1-ol
CID 65202481
3-[2-methyl-4-(oxan-2-ylmethoxy)phenyl]prop-2-yn-1-ol
CID 83134156
[4-methoxy-2-(oxan-2-ylmethoxy)phenyl]methanol
CID 61267945
4-[4-methoxy-2-(oxolan-2-ylmethoxymethyl)phenyl]but-3-yn-1-ol
CID 65323992
(NE)-N-[1-[4-methoxy-2-(oxolan-2-ylmethoxy)phenyl]ethylidene]hydroxylamine
CID 82001539
2-[[2-(3-chloroprop-1-ynyl)-4-methoxyphenoxy]methyl]-4-methylmorpholine
CID 104706832
3-[2-(cyclopentylmethoxy)-5-methoxyphenyl]prop-2-yn-1-amine
CID 104706862
4-methoxy-2-(oxan-2-ylmethoxy)benzenecarbothioamide
CID 81303078

Frequently Asked Questions

What is the IUPAC name of 3-[5-methoxy-2-(oxolan-2-ylmethoxy)phenyl]prop-2-yn-1-ol?
The IUPAC name of 3-[5-methoxy-2-(oxolan-2-ylmethoxy)phenyl]prop-2-yn-1-ol (CID 104706417) is 3-[5-methoxy-2-(oxolan-2-ylmethoxy)phenyl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[5-methoxy-2-(oxolan-2-ylmethoxy)phenyl]prop-2-yn-1-ol?
The canonical SMILES for 3-[5-methoxy-2-(oxolan-2-ylmethoxy)phenyl]prop-2-yn-1-ol is COc1ccc(OCC2CCCO2)c(C#CCO)c1.
What is the InChIKey of 3-[5-methoxy-2-(oxolan-2-ylmethoxy)phenyl]prop-2-yn-1-ol?
The InChIKey is HUXRJHSQIFWERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O4/c1-17-13-6-7-15(12(10-13)4-2-8-16)19-11-14-5-3-9-18-14/h6-7,10,14,16H,3,5,8-9,11H2,1H3.
What are the key properties of 3-[5-methoxy-2-(oxolan-2-ylmethoxy)phenyl]prop-2-yn-1-ol?
3-[5-methoxy-2-(oxolan-2-ylmethoxy)phenyl]prop-2-yn-1-ol has a molecular weight of 262.31 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-methoxy-2-(oxolan-2-ylmethoxy)phenyl]prop-2-yn-1-ol is sourced from PubChem (CID 104706417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).