1-ethynyl-2-(3-methoxyphenoxy)benzene

C15H12O2 — CID 173156561

IUPAC1-ethynyl-2-(3-methoxyphenoxy)benzene
SMILESC#Cc1ccccc1Oc1cccc(OC)c1
InChIInChI=1S/C15H12O2/c1-3-12-7-4-5-10-15(12)17-14-9-6-8-13(11-14)16-2/h1,4-11H,2H3
InChIKeyURRCEDIEHNUSGG-UHFFFAOYSA-N
MW224.26 g/mol
LogP3.47
Rot. Bonds3

About 1-ethynyl-2-(3-methoxyphenoxy)benzene

1-ethynyl-2-(3-methoxyphenoxy)benzene (PubChem CID 173156561) has the molecular formula C15H12O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 1-ethynyl-2-(3-methoxyphenoxy)benzene.

Molecular Properties

Compound Name1-ethynyl-2-(3-methoxyphenoxy)benzene
PubChem CID173156561
Molecular FormulaC15H12O2
Molecular Weight224.26 g/mol
Exact Mass224.08
IUPAC Name1-ethynyl-2-(3-methoxyphenoxy)benzene
SMILESC#Cc1ccccc1Oc1cccc(OC)c1
InChIInChI=1S/C15H12O2/c1-3-12-7-4-5-10-15(12)17-14-9-6-8-13(11-14)16-2/h1,4-11H,2H3
InChIKeyURRCEDIEHNUSGG-UHFFFAOYSA-N
XLogP3.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-2-(3-methoxyphenoxy)benzene
CID 14020526
2-(3-methoxyphenoxy)-N-methylaniline
CID 167220736
1-methoxy-3-[4-[4-(3-methoxyphenoxy)phenoxy]phenoxy]benzene
CID 139804491
1,4-dimethoxy-2-(3-methoxyphenoxy)benzene
CID 95561214
1-ethynyl-3-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene
CID 25117715
tris(1,3-dimethoxybenzene);phosphane
CID 160853878
azane;1,3-dimethoxybenzene
CID 70210283
CID 172849383
CID 172849383
2-(3-ethoxyphenoxy)benzonitrile
CID 62336711
1-ethynyl-2-[4-(trifluoromethyl)phenoxy]benzene
CID 155883074
1,3-dimethoxybenzene;1,4-dimethoxybenzene
CID 91359455
calcium;1,3-dimethoxybenzene;hydride
CID 174808068

Frequently Asked Questions

What is the IUPAC name of 1-ethynyl-2-(3-methoxyphenoxy)benzene?
The IUPAC name of 1-ethynyl-2-(3-methoxyphenoxy)benzene (CID 173156561) is 1-ethynyl-2-(3-methoxyphenoxy)benzene.
What is the SMILES notation for 1-ethynyl-2-(3-methoxyphenoxy)benzene?
The canonical SMILES for 1-ethynyl-2-(3-methoxyphenoxy)benzene is C#Cc1ccccc1Oc1cccc(OC)c1.
What is the InChIKey of 1-ethynyl-2-(3-methoxyphenoxy)benzene?
The InChIKey is URRCEDIEHNUSGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O2/c1-3-12-7-4-5-10-15(12)17-14-9-6-8-13(11-14)16-2/h1,4-11H,2H3.
What are the key properties of 1-ethynyl-2-(3-methoxyphenoxy)benzene?
1-ethynyl-2-(3-methoxyphenoxy)benzene has a molecular weight of 224.26 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethynyl-2-(3-methoxyphenoxy)benzene is sourced from PubChem (CID 173156561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).