2-[3-methoxy-4-[2-(3-phenylmethoxyphenyl)ethoxy]phenyl]acetonitrile

C24H23NO3 — CID 142620478

IUPAC2-[3-methoxy-4-[2-(3-phenylmethoxyphenyl)ethoxy]phenyl]acetonitrile
SMILESCOc1cc(CC#N)ccc1OCCc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C24H23NO3/c1-26-24-17-20(12-14-25)10-11-23(24)27-15-13-19-8-5-9-22(16-19)28-18-21-6-3-2-4-7-21/h2-11,16-17H,12-13,15,18H2,1H3
InChIKeyXPCUNOXQCNHVML-UHFFFAOYSA-N
MW373.45 g/mol
LogP4.96
Rot. Bonds9

About 2-[3-methoxy-4-[2-(3-phenylmethoxyphenyl)ethoxy]phenyl]acetonitrile

2-[3-methoxy-4-[2-(3-phenylmethoxyphenyl)ethoxy]phenyl]acetonitrile (PubChem CID 142620478) has the molecular formula C24H23NO3 and a molecular weight of 373.45 g/mol. Its IUPAC name is 2-[3-methoxy-4-[2-(3-phenylmethoxyphenyl)ethoxy]phenyl]acetonitrile.

Molecular Properties

Compound Name2-[3-methoxy-4-[2-(3-phenylmethoxyphenyl)ethoxy]phenyl]acetonitrile
PubChem CID142620478
Molecular FormulaC24H23NO3
Molecular Weight373.45 g/mol
Exact Mass373.17
IUPAC Name2-[3-methoxy-4-[2-(3-phenylmethoxyphenyl)ethoxy]phenyl]acetonitrile
SMILESCOc1cc(CC#N)ccc1OCCc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C24H23NO3/c1-26-24-17-20(12-14-25)10-11-23(24)27-15-13-19-8-5-9-22(16-19)28-18-21-6-3-2-4-7-21/h2-11,16-17H,12-13,15,18H2,1H3
InChIKeyXPCUNOXQCNHVML-UHFFFAOYSA-N
XLogP4.96
TPSA51.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[4-(cyanomethyl)-2-methoxyphenoxy]phenyl]acetonitrile
CID 139463123
2-[3-[(4-fluorophenyl)methoxy]phenyl]acetonitrile
CID 170886344
2-methoxy-4-(2-methoxyethyl)-1-phenylmethoxybenzene
CID 135032978
2-[3-(2-naphthalen-2-ylethoxy)phenyl]acetonitrile
CID 141063911
2-[[3-methoxy-4-(2-phenylethoxy)phenyl]methylamino]acetonitrile
CID 4724686
2-(4-butoxy-3-methoxyphenyl)acetonitrile
CID 21245118
2-(3-methoxy-4-phenylmethoxyphenyl)ethylazanium chloride
CID 2752224
[3-methoxy-4-(2-phenylethoxy)phenyl]methanol
CID 28562144
5-[[3-(2-aminoethyl)phenoxy]methyl]-2-methoxybenzonitrile
CID 65339062
2-[3-[2-(3-propoxyphenyl)ethyl]phenyl]acetonitrile
CID 141318106
5-[[3-(chloromethyl)phenoxy]methyl]-2-methoxybenzonitrile
CID 65339485
1-phenylmethoxy-3-propylbenzene
CID 58977798

Frequently Asked Questions

What is the IUPAC name of 2-[3-methoxy-4-[2-(3-phenylmethoxyphenyl)ethoxy]phenyl]acetonitrile?
The IUPAC name of 2-[3-methoxy-4-[2-(3-phenylmethoxyphenyl)ethoxy]phenyl]acetonitrile (CID 142620478) is 2-[3-methoxy-4-[2-(3-phenylmethoxyphenyl)ethoxy]phenyl]acetonitrile.
What is the SMILES notation for 2-[3-methoxy-4-[2-(3-phenylmethoxyphenyl)ethoxy]phenyl]acetonitrile?
The canonical SMILES for 2-[3-methoxy-4-[2-(3-phenylmethoxyphenyl)ethoxy]phenyl]acetonitrile is COc1cc(CC#N)ccc1OCCc1cccc(OCc2ccccc2)c1.
What is the InChIKey of 2-[3-methoxy-4-[2-(3-phenylmethoxyphenyl)ethoxy]phenyl]acetonitrile?
The InChIKey is XPCUNOXQCNHVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO3/c1-26-24-17-20(12-14-25)10-11-23(24)27-15-13-19-8-5-9-22(16-19)28-18-21-6-3-2-4-7-21/h2-11,16-17H,12-13,15,18H2,1H3.
What are the key properties of 2-[3-methoxy-4-[2-(3-phenylmethoxyphenyl)ethoxy]phenyl]acetonitrile?
2-[3-methoxy-4-[2-(3-phenylmethoxyphenyl)ethoxy]phenyl]acetonitrile has a molecular weight of 373.45 g/mol, XLogP of 4.96, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methoxy-4-[2-(3-phenylmethoxyphenyl)ethoxy]phenyl]acetonitrile is sourced from PubChem (CID 142620478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).