2-[3-(5-chloro-2-methoxyphenyl)prop-2-ynoxy]oxane

C15H17ClO3 — CID 146002899

IUPAC2-[3-(5-chloro-2-methoxyphenyl)prop-2-ynoxy]oxane
SMILESCOc1ccc(Cl)cc1C#CCOC1CCCCO1
InChIInChI=1S/C15H17ClO3/c1-17-14-8-7-13(16)11-12(14)5-4-10-19-15-6-2-3-9-18-15/h7-8,11,15H,2-3,6,9-10H2,1H3
InChIKeyZNPZBQHXWLGGFH-UHFFFAOYSA-N
MW280.75 g/mol
LogP3.24
Rot. Bonds3

About 2-[3-(5-chloro-2-methoxyphenyl)prop-2-ynoxy]oxane

2-[3-(5-chloro-2-methoxyphenyl)prop-2-ynoxy]oxane (PubChem CID 146002899) has the molecular formula C15H17ClO3 and a molecular weight of 280.75 g/mol. Its IUPAC name is 2-[3-(5-chloro-2-methoxyphenyl)prop-2-ynoxy]oxane.

Molecular Properties

Compound Name2-[3-(5-chloro-2-methoxyphenyl)prop-2-ynoxy]oxane
PubChem CID146002899
Molecular FormulaC15H17ClO3
Molecular Weight280.75 g/mol
Exact Mass280.09
IUPAC Name2-[3-(5-chloro-2-methoxyphenyl)prop-2-ynoxy]oxane
SMILESCOc1ccc(Cl)cc1C#CCOC1CCCCO1
InChIInChI=1S/C15H17ClO3/c1-17-14-8-7-13(16)11-12(14)5-4-10-19-15-6-2-3-9-18-15/h7-8,11,15H,2-3,6,9-10H2,1H3
InChIKeyZNPZBQHXWLGGFH-UHFFFAOYSA-N
XLogP3.24
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(4-fluoro-3-methylphenyl)prop-2-ynoxy]oxane
CID 59407505
2-[3-(4-chloro-3-methylphenyl)prop-2-ynoxy]oxane
CID 146002992
2-(3-naphthalen-1-ylprop-2-ynoxy)oxane
CID 146003722
2-(3-phenylprop-2-ynoxy)oxane
CID 11665682
2-[3-(3-ethylphenyl)prop-2-ynoxy]oxane
CID 59407658
2-[3-(oxan-2-yloxy)prop-1-ynyl]-4,5-di(propan-2-yloxy)phenol
CID 42611577
[2-[3-(oxan-2-yloxy)prop-1-ynyl]phenyl]methanol
CID 15647828
4-(oxan-2-yloxy)-1-(3,4,5-trimethoxyphenyl)but-2-yn-1-one
CID 10914609
4-[3-(oxan-2-yloxy)prop-1-ynyl]benzonitrile
CID 166449331
2-[(4-methoxy-3-methylphenyl)methoxy]oxane
CID 66596594
2-ethyl-6-[3-(oxan-2-yloxy)prop-1-ynyl]pyridine
CID 155226523
2-[[2-[3-[3-[2-(oxan-2-yloxymethyl)phenyl]prop-2-ynoxy]prop-1-ynyl]phenyl]methoxy]oxane
CID 71520522

Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-chloro-2-methoxyphenyl)prop-2-ynoxy]oxane?
The IUPAC name of 2-[3-(5-chloro-2-methoxyphenyl)prop-2-ynoxy]oxane (CID 146002899) is 2-[3-(5-chloro-2-methoxyphenyl)prop-2-ynoxy]oxane.
What is the SMILES notation for 2-[3-(5-chloro-2-methoxyphenyl)prop-2-ynoxy]oxane?
The canonical SMILES for 2-[3-(5-chloro-2-methoxyphenyl)prop-2-ynoxy]oxane is COc1ccc(Cl)cc1C#CCOC1CCCCO1.
What is the InChIKey of 2-[3-(5-chloro-2-methoxyphenyl)prop-2-ynoxy]oxane?
The InChIKey is ZNPZBQHXWLGGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClO3/c1-17-14-8-7-13(16)11-12(14)5-4-10-19-15-6-2-3-9-18-15/h7-8,11,15H,2-3,6,9-10H2,1H3.
What are the key properties of 2-[3-(5-chloro-2-methoxyphenyl)prop-2-ynoxy]oxane?
2-[3-(5-chloro-2-methoxyphenyl)prop-2-ynoxy]oxane has a molecular weight of 280.75 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-chloro-2-methoxyphenyl)prop-2-ynoxy]oxane is sourced from PubChem (CID 146002899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).