2-(methoxymethoxymethyl)-4-phenylmethoxybenzonitrile

C17H17NO3 — CID 138974840

IUPAC2-(methoxymethoxymethyl)-4-phenylmethoxybenzonitrile
SMILESCOCOCc1cc(OCc2ccccc2)ccc1C#N
InChIInChI=1S/C17H17NO3/c1-19-13-20-12-16-9-17(8-7-15(16)10-18)21-11-14-5-3-2-4-6-14/h2-9H,11-13H2,1H3
InChIKeyUORXCKDDNPMNBZ-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.26
Rot. Bonds7

About 2-(methoxymethoxymethyl)-4-phenylmethoxybenzonitrile

2-(methoxymethoxymethyl)-4-phenylmethoxybenzonitrile (PubChem CID 138974840) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-(methoxymethoxymethyl)-4-phenylmethoxybenzonitrile.

Molecular Properties

Compound Name2-(methoxymethoxymethyl)-4-phenylmethoxybenzonitrile
PubChem CID138974840
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name2-(methoxymethoxymethyl)-4-phenylmethoxybenzonitrile
SMILESCOCOCc1cc(OCc2ccccc2)ccc1C#N
InChIInChI=1S/C17H17NO3/c1-19-13-20-12-16-9-17(8-7-15(16)10-18)21-11-14-5-3-2-4-6-14/h2-9H,11-13H2,1H3
InChIKeyUORXCKDDNPMNBZ-UHFFFAOYSA-N
XLogP3.26
TPSA51.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-(phenylmethoxymethoxy)benzonitrile
CID 102674690
4-phenylmethoxy-2-(phenylmethoxymethyl)aniline
CID 58999316
ethyl 2-(2-cyano-5-phenylmethoxyphenoxy)acetate
CID 54227701
2-(2-cyano-5-phenylmethoxyphenoxy)acetic acid
CID 70080910
3-phenylmethoxynaphthalene-2-carbonitrile
CID 86260131
2-methoxy-5-(phenylmethoxymethyl)benzonitrile
CID 65343797
2-(dibenzylamino)-5-phenylmethoxybenzonitrile
CID 170987093
4-phenylmethoxy-2-(propylideneamino)oxybenzonitrile
CID 173309664
2-[(N-methyl-4-phenylmethoxyanilino)methyl]benzonitrile
CID 168969764
2-methyl-6-phenylmethoxyquinoline-4-carbonitrile
CID 82573318
1-(methoxymethoxymethyl)-2,3-bis(phenylmethoxy)benzene
CID 86164113
1-ethynyl-2-methyl-4-phenylmethoxybenzene
CID 146673536

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethoxymethyl)-4-phenylmethoxybenzonitrile?
The IUPAC name of 2-(methoxymethoxymethyl)-4-phenylmethoxybenzonitrile (CID 138974840) is 2-(methoxymethoxymethyl)-4-phenylmethoxybenzonitrile.
What is the SMILES notation for 2-(methoxymethoxymethyl)-4-phenylmethoxybenzonitrile?
The canonical SMILES for 2-(methoxymethoxymethyl)-4-phenylmethoxybenzonitrile is COCOCc1cc(OCc2ccccc2)ccc1C#N.
What is the InChIKey of 2-(methoxymethoxymethyl)-4-phenylmethoxybenzonitrile?
The InChIKey is UORXCKDDNPMNBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-19-13-20-12-16-9-17(8-7-15(16)10-18)21-11-14-5-3-2-4-6-14/h2-9H,11-13H2,1H3.
What are the key properties of 2-(methoxymethoxymethyl)-4-phenylmethoxybenzonitrile?
2-(methoxymethoxymethyl)-4-phenylmethoxybenzonitrile has a molecular weight of 283.33 g/mol, XLogP of 3.26, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethoxymethyl)-4-phenylmethoxybenzonitrile is sourced from PubChem (CID 138974840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).