2-ethynyl-4-methoxy-1-(2-phenylmethoxyphenyl)benzene

C22H18O2 — CID 168720092

IUPAC2-ethynyl-4-methoxy-1-(2-phenylmethoxyphenyl)benzene
SMILESC#Cc1cc(OC)ccc1-c1ccccc1OCc1ccccc1
InChIInChI=1S/C22H18O2/c1-3-18-15-19(23-2)13-14-20(18)21-11-7-8-12-22(21)24-16-17-9-5-4-6-10-17/h1,4-15H,16H2,2H3
InChIKeySKGVCSJOIMLPQU-UHFFFAOYSA-N
MW314.38 g/mol
LogP4.92
Rot. Bonds5

About 2-ethynyl-4-methoxy-1-(2-phenylmethoxyphenyl)benzene

2-ethynyl-4-methoxy-1-(2-phenylmethoxyphenyl)benzene (PubChem CID 168720092) has the molecular formula C22H18O2 and a molecular weight of 314.38 g/mol. Its IUPAC name is 2-ethynyl-4-methoxy-1-(2-phenylmethoxyphenyl)benzene.

Molecular Properties

Compound Name2-ethynyl-4-methoxy-1-(2-phenylmethoxyphenyl)benzene
PubChem CID168720092
Molecular FormulaC22H18O2
Molecular Weight314.38 g/mol
Exact Mass314.13
IUPAC Name2-ethynyl-4-methoxy-1-(2-phenylmethoxyphenyl)benzene
SMILESC#Cc1cc(OC)ccc1-c1ccccc1OCc1ccccc1
InChIInChI=1S/C22H18O2/c1-3-18-15-19(23-2)13-14-20(18)21-11-7-8-12-22(21)24-16-17-9-5-4-6-10-17/h1,4-15H,16H2,2H3
InChIKeySKGVCSJOIMLPQU-UHFFFAOYSA-N
XLogP4.92
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 54.92
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

2-ethynyl-4-methoxy-1-phenylmethoxybenzene
CID 154814757
1-(2,4-dimethoxyphenyl)-4-ethynyl-2-phenylmethoxybenzene
CID 176508542
azane;4-methoxy-2-methyl-1-phenylmethoxybenzene;hydrochloride
CID 174629169
1-ethynyl-2-methyl-4-phenylmethoxybenzene
CID 146673536
[4-(2,5-dimethoxyphenyl)-3-phenylmethoxyphenyl]methanamine;hydrochloride
CID 176508461
5-(5-methoxy-2-phenylmethoxyphenyl)-1H-pyrazole
CID 57432903
1-(5-chloro-2-nitrophenyl)-4-methoxy-2-phenylmethoxybenzene
CID 24749966
2-bromo-4-methoxy-1-(4-phenylmethoxyphenyl)benzene
CID 91451800
4-ethynyl-2-phenylmethoxy-1-[2-(trifluoromethoxy)phenyl]benzene
CID 176508519
2,3-diisocyano-1,4-bis(2-phenylmethoxyphenyl)benzene
CID 101487258
1-ethynyl-4-methoxy-2-phenylbenzene
CID 101442294
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541

Frequently Asked Questions

What is the IUPAC name of 2-ethynyl-4-methoxy-1-(2-phenylmethoxyphenyl)benzene?
The IUPAC name of 2-ethynyl-4-methoxy-1-(2-phenylmethoxyphenyl)benzene (CID 168720092) is 2-ethynyl-4-methoxy-1-(2-phenylmethoxyphenyl)benzene.
What is the SMILES notation for 2-ethynyl-4-methoxy-1-(2-phenylmethoxyphenyl)benzene?
The canonical SMILES for 2-ethynyl-4-methoxy-1-(2-phenylmethoxyphenyl)benzene is C#Cc1cc(OC)ccc1-c1ccccc1OCc1ccccc1.
What is the InChIKey of 2-ethynyl-4-methoxy-1-(2-phenylmethoxyphenyl)benzene?
The InChIKey is SKGVCSJOIMLPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O2/c1-3-18-15-19(23-2)13-14-20(18)21-11-7-8-12-22(21)24-16-17-9-5-4-6-10-17/h1,4-15H,16H2,2H3.
What are the key properties of 2-ethynyl-4-methoxy-1-(2-phenylmethoxyphenyl)benzene?
2-ethynyl-4-methoxy-1-(2-phenylmethoxyphenyl)benzene has a molecular weight of 314.38 g/mol, XLogP of 4.92, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethynyl-4-methoxy-1-(2-phenylmethoxyphenyl)benzene is sourced from PubChem (CID 168720092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).