[2-[3-(oxan-2-yloxy)prop-1-ynyl]phenyl]methanol

C15H18O3 — CID 15647828

IUPAC[2-[3-(oxan-2-yloxy)prop-1-ynyl]phenyl]methanol
SMILESOCc1ccccc1C#CCOC1CCCCO1
InChIInChI=1S/C15H18O3/c16-12-14-7-2-1-6-13(14)8-5-11-18-15-9-3-4-10-17-15/h1-2,6-7,15-16H,3-4,9-12H2
InChIKeyAKCZWLRSBGRHAL-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.07
Rot. Bonds3

About [2-[3-(oxan-2-yloxy)prop-1-ynyl]phenyl]methanol

[2-[3-(oxan-2-yloxy)prop-1-ynyl]phenyl]methanol (PubChem CID 15647828) has the molecular formula C15H18O3 and a molecular weight of 246.31 g/mol. Its IUPAC name is [2-[3-(oxan-2-yloxy)prop-1-ynyl]phenyl]methanol.

Molecular Properties

Compound Name[2-[3-(oxan-2-yloxy)prop-1-ynyl]phenyl]methanol
PubChem CID15647828
Molecular FormulaC15H18O3
Molecular Weight246.31 g/mol
Exact Mass246.13
IUPAC Name[2-[3-(oxan-2-yloxy)prop-1-ynyl]phenyl]methanol
SMILESOCc1ccccc1C#CCOC1CCCCO1
InChIInChI=1S/C15H18O3/c16-12-14-7-2-1-6-13(14)8-5-11-18-15-9-3-4-10-17-15/h1-2,6-7,15-16H,3-4,9-12H2
InChIKeyAKCZWLRSBGRHAL-UHFFFAOYSA-N
XLogP2.07
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 ≤ 52.07
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

2-(3-naphthalen-1-ylprop-2-ynoxy)oxane
CID 146003722
2-[[2-[3-[3-[2-(oxan-2-yloxymethyl)phenyl]prop-2-ynoxy]prop-1-ynyl]phenyl]methoxy]oxane
CID 71520522
2-(3-phenylprop-2-ynoxy)oxane
CID 11665682
2-(4-phenoxybut-2-ynoxy)oxane
CID 19849494
4-[3-(oxan-2-yloxy)prop-1-ynyl]benzonitrile
CID 166449331
(1S)-4-(oxan-2-yloxy)-1-phenylbut-2-yn-1-ol
CID 165344268
2-hex-2-ynoxyoxane
CID 11041365
2-[3-(5-chloro-2-methoxyphenyl)prop-2-ynoxy]oxane
CID 146002899
2-[3-(oxan-2-yloxy)prop-1-ynyl]-4,5-di(propan-2-yloxy)phenol
CID 42611577
2-[3-(3-ethylphenyl)prop-2-ynoxy]oxane
CID 59407658
2-ethyl-6-[3-(oxan-2-yloxy)prop-1-ynyl]pyridine
CID 155226523
2-[[2-[[2-[[2-(oxan-2-yloxymethyl)phenyl]methyl]phenyl]methyl]phenyl]methoxy]oxane
CID 10458131

Frequently Asked Questions

What is the IUPAC name of [2-[3-(oxan-2-yloxy)prop-1-ynyl]phenyl]methanol?
The IUPAC name of [2-[3-(oxan-2-yloxy)prop-1-ynyl]phenyl]methanol (CID 15647828) is [2-[3-(oxan-2-yloxy)prop-1-ynyl]phenyl]methanol.
What is the SMILES notation for [2-[3-(oxan-2-yloxy)prop-1-ynyl]phenyl]methanol?
The canonical SMILES for [2-[3-(oxan-2-yloxy)prop-1-ynyl]phenyl]methanol is OCc1ccccc1C#CCOC1CCCCO1.
What is the InChIKey of [2-[3-(oxan-2-yloxy)prop-1-ynyl]phenyl]methanol?
The InChIKey is AKCZWLRSBGRHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O3/c16-12-14-7-2-1-6-13(14)8-5-11-18-15-9-3-4-10-17-15/h1-2,6-7,15-16H,3-4,9-12H2.
What are the key properties of [2-[3-(oxan-2-yloxy)prop-1-ynyl]phenyl]methanol?
[2-[3-(oxan-2-yloxy)prop-1-ynyl]phenyl]methanol has a molecular weight of 246.31 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(oxan-2-yloxy)prop-1-ynyl]phenyl]methanol is sourced from PubChem (CID 15647828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).