3-[3-(oxolan-3-ylmethoxymethyl)phenyl]prop-2-yn-1-ol

C15H18O3 — CID 54977358

IUPAC3-[3-(oxolan-3-ylmethoxymethyl)phenyl]prop-2-yn-1-ol
SMILESOCC#Cc1cccc(COCC2CCOC2)c1
InChIInChI=1S/C15H18O3/c16-7-2-5-13-3-1-4-14(9-13)10-18-12-15-6-8-17-11-15/h1,3-4,9,15-16H,6-8,10-12H2
InChIKeyNUGFNRIIXBIPCK-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.58
Rot. Bonds4

About 3-[3-(oxolan-3-ylmethoxymethyl)phenyl]prop-2-yn-1-ol

3-[3-(oxolan-3-ylmethoxymethyl)phenyl]prop-2-yn-1-ol (PubChem CID 54977358) has the molecular formula C15H18O3 and a molecular weight of 246.31 g/mol. Its IUPAC name is 3-[3-(oxolan-3-ylmethoxymethyl)phenyl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[3-(oxolan-3-ylmethoxymethyl)phenyl]prop-2-yn-1-ol
PubChem CID54977358
Molecular FormulaC15H18O3
Molecular Weight246.31 g/mol
Exact Mass246.13
IUPAC Name3-[3-(oxolan-3-ylmethoxymethyl)phenyl]prop-2-yn-1-ol
SMILESOCC#Cc1cccc(COCC2CCOC2)c1
InChIInChI=1S/C15H18O3/c16-7-2-5-13-3-1-4-14(9-13)10-18-12-15-6-8-17-11-15/h1,3-4,9,15-16H,6-8,10-12H2
InChIKeyNUGFNRIIXBIPCK-UHFFFAOYSA-N
XLogP1.58
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.58
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-[3-(oxan-4-ylmethoxymethyl)phenyl]prop-2-yn-1-amine
CID 62382842
3-[4-(oxolan-3-ylmethoxymethyl)phenyl]prop-2-yn-1-amine
CID 54977307
3-[3-[2-(3-methoxypropoxy)ethoxymethyl]phenyl]prop-2-yn-1-ol
CID 103179506
4-[4-(oxan-4-ylmethoxymethyl)phenyl]but-3-yn-1-ol
CID 62383035
3-[3-(oxetan-3-ylsulfanylmethyl)phenyl]prop-2-yn-1-ol
CID 79327217
2-bromo-5-(oxolan-3-ylmethoxymethyl)aniline
CID 115557537
2-methoxy-5-(oxolan-3-ylmethoxymethyl)benzenecarbothioamide
CID 65343766
3-[5-(cyclopropylmethoxymethyl)-2-methoxyphenyl]prop-2-yn-1-ol
CID 54974372
N-methyl-1-[4-(oxolan-3-ylmethoxymethyl)phenyl]methanamine
CID 62484188
3-[3-[2-(cyclohexylmethoxy)ethoxy]phenyl]prop-2-yn-1-ol
CID 62383394
4-[4-methoxy-2-(oxolan-3-ylmethoxymethyl)phenyl]but-3-yn-1-ol
CID 65323803
1-ethyl-2-[3-(oxolan-3-ylmethoxy)propyl]-3-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]guanidine
CID 136920291

Frequently Asked Questions

What is the IUPAC name of 3-[3-(oxolan-3-ylmethoxymethyl)phenyl]prop-2-yn-1-ol?
The IUPAC name of 3-[3-(oxolan-3-ylmethoxymethyl)phenyl]prop-2-yn-1-ol (CID 54977358) is 3-[3-(oxolan-3-ylmethoxymethyl)phenyl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[3-(oxolan-3-ylmethoxymethyl)phenyl]prop-2-yn-1-ol?
The canonical SMILES for 3-[3-(oxolan-3-ylmethoxymethyl)phenyl]prop-2-yn-1-ol is OCC#Cc1cccc(COCC2CCOC2)c1.
What is the InChIKey of 3-[3-(oxolan-3-ylmethoxymethyl)phenyl]prop-2-yn-1-ol?
The InChIKey is NUGFNRIIXBIPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O3/c16-7-2-5-13-3-1-4-14(9-13)10-18-12-15-6-8-17-11-15/h1,3-4,9,15-16H,6-8,10-12H2.
What are the key properties of 3-[3-(oxolan-3-ylmethoxymethyl)phenyl]prop-2-yn-1-ol?
3-[3-(oxolan-3-ylmethoxymethyl)phenyl]prop-2-yn-1-ol has a molecular weight of 246.31 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(oxolan-3-ylmethoxymethyl)phenyl]prop-2-yn-1-ol is sourced from PubChem (CID 54977358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).