1-(2,4-dimethoxyphenyl)-4-ethynyl-2-phenylmethoxybenzene

C23H20O3 — CID 176508542

IUPAC1-(2,4-dimethoxyphenyl)-4-ethynyl-2-phenylmethoxybenzene
SMILESC#Cc1ccc(-c2ccc(OC)cc2OC)c(OCc2ccccc2)c1
InChIInChI=1S/C23H20O3/c1-4-17-10-12-21(20-13-11-19(24-2)15-22(20)25-3)23(14-17)26-16-18-8-6-5-7-9-18/h1,5-15H,16H2,2-3H3
InChIKeyWKDPFDIRSAXOPN-UHFFFAOYSA-N
MW344.41 g/mol
LogP4.93
Rot. Bonds6

About 1-(2,4-dimethoxyphenyl)-4-ethynyl-2-phenylmethoxybenzene

1-(2,4-dimethoxyphenyl)-4-ethynyl-2-phenylmethoxybenzene (PubChem CID 176508542) has the molecular formula C23H20O3 and a molecular weight of 344.41 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-4-ethynyl-2-phenylmethoxybenzene.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-4-ethynyl-2-phenylmethoxybenzene
PubChem CID176508542
Molecular FormulaC23H20O3
Molecular Weight344.41 g/mol
Exact Mass344.14
IUPAC Name1-(2,4-dimethoxyphenyl)-4-ethynyl-2-phenylmethoxybenzene
SMILESC#Cc1ccc(-c2ccc(OC)cc2OC)c(OCc2ccccc2)c1
InChIInChI=1S/C23H20O3/c1-4-17-10-12-21(20-13-11-19(24-2)15-22(20)25-3)23(14-17)26-16-18-8-6-5-7-9-18/h1,5-15H,16H2,2-3H3
InChIKeyWKDPFDIRSAXOPN-UHFFFAOYSA-N
XLogP4.93
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 54.93
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-ethynyl-4-methoxy-1-(2-phenylmethoxyphenyl)benzene
CID 168720092
1-(4-ethynyl-2-phenylmethoxyphenyl)-2-fluoro-4-methylbenzene
CID 176508551
2,4-dichloro-1-(4-ethynyl-2-phenylmethoxyphenyl)benzene
CID 176508541
1-(4-ethylphenyl)-4-ethynyl-2-phenylmethoxybenzene
CID 176508535
2-ethynyl-4-methoxy-1-phenylmethoxybenzene
CID 154814757
1-(2,3-difluorophenyl)-4-ethynyl-2-phenylmethoxybenzene
CID 176508548
4-ethynyl-2-phenylmethoxy-1-[2-(trifluoromethoxy)phenyl]benzene
CID 176508519
4-ethynyl-2-methoxy-1-phenylbenzene
CID 12788025
[4-(2,5-dimethoxyphenyl)-3-phenylmethoxyphenyl]methanamine;hydrochloride
CID 176508461
azane;4-methoxy-2-methyl-1-phenylmethoxybenzene;hydrochloride
CID 174629169
2-(2,4-dimethoxyphenyl)-5-ethynylpyridine
CID 175646944
1-[2-(2,4-dimethoxyphenyl)phenyl]-2,4-dimethoxybenzene
CID 70200625

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-4-ethynyl-2-phenylmethoxybenzene?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-4-ethynyl-2-phenylmethoxybenzene (CID 176508542) is 1-(2,4-dimethoxyphenyl)-4-ethynyl-2-phenylmethoxybenzene.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-4-ethynyl-2-phenylmethoxybenzene?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-4-ethynyl-2-phenylmethoxybenzene is C#Cc1ccc(-c2ccc(OC)cc2OC)c(OCc2ccccc2)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-4-ethynyl-2-phenylmethoxybenzene?
The InChIKey is WKDPFDIRSAXOPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20O3/c1-4-17-10-12-21(20-13-11-19(24-2)15-22(20)25-3)23(14-17)26-16-18-8-6-5-7-9-18/h1,5-15H,16H2,2-3H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)-4-ethynyl-2-phenylmethoxybenzene?
1-(2,4-dimethoxyphenyl)-4-ethynyl-2-phenylmethoxybenzene has a molecular weight of 344.41 g/mol, XLogP of 4.93, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-4-ethynyl-2-phenylmethoxybenzene is sourced from PubChem (CID 176508542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).