1,4-dimethoxy-2-phenoxybenzene;molecular nitrogen

C14H14N2O3 — CID 70565966

IUPAC1,4-dimethoxy-2-phenoxybenzene;molecular nitrogen
SMILESCOc1ccc(OC)c(Oc2ccccc2)c1.N#N
InChIInChI=1S/C14H14O3.N2/c1-15-12-8-9-13(16-2)14(10-12)17-11-6-4-3-5-7-11;1-2/h3-10H,1-2H3;
InChIKeyPOXFAMVFUISMNU-UHFFFAOYSA-N
MW258.28 g/mol
LogP3.53
Rot. Bonds4

About 1,4-dimethoxy-2-phenoxybenzene;molecular nitrogen

1,4-dimethoxy-2-phenoxybenzene;molecular nitrogen (PubChem CID 70565966) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 1,4-dimethoxy-2-phenoxybenzene;molecular nitrogen.

Molecular Properties

Compound Name1,4-dimethoxy-2-phenoxybenzene;molecular nitrogen
PubChem CID70565966
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name1,4-dimethoxy-2-phenoxybenzene;molecular nitrogen
SMILESCOc1ccc(OC)c(Oc2ccccc2)c1.N#N
InChIInChI=1S/C14H14O3.N2/c1-15-12-8-9-13(16-2)14(10-12)17-11-6-4-3-5-7-11;1-2/h3-10H,1-2H3;
InChIKeyPOXFAMVFUISMNU-UHFFFAOYSA-N
XLogP3.53
TPSA75.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1,4-dimethoxy-2-(3-methoxyphenoxy)benzene
CID 95561214
1,4-dimethoxy-2-(2-methylphenoxy)benzene
CID 173173641
1-fluoro-4-methoxy-2-phenoxybenzene
CID 162127309
1-tert-butyl-4-methoxy-2-phenoxybenzene
CID 143202933
1-methoxy-2-(3-methoxyphenoxy)benzene
CID 14020526
1,2-dimethoxy-4-(5-methoxy-2-methylphenoxy)benzene
CID 123959246
N-(5-methoxy-2-phenoxyphenyl)methanesulfonamide
CID 10803650
1,4-dimethoxy-2-(4-nitrophenoxy)benzene
CID 58929090
1-(4,5-dimethoxy-2-phenoxyphenyl)-4,5-dimethoxy-2-phenoxybenzene
CID 11419749
2-(2,5-dimethoxyphenoxy)thiophene
CID 91307628
2-(3,4-dimethoxyphenoxy)-4-methoxyaniline
CID 123638335
1-methoxy-4-[4-(4-methoxynaphthalen-1-yl)oxyphenoxy]naphthalene
CID 146547657

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethoxy-2-phenoxybenzene;molecular nitrogen?
The IUPAC name of 1,4-dimethoxy-2-phenoxybenzene;molecular nitrogen (CID 70565966) is 1,4-dimethoxy-2-phenoxybenzene;molecular nitrogen.
What is the SMILES notation for 1,4-dimethoxy-2-phenoxybenzene;molecular nitrogen?
The canonical SMILES for 1,4-dimethoxy-2-phenoxybenzene;molecular nitrogen is COc1ccc(OC)c(Oc2ccccc2)c1.N#N.
What is the InChIKey of 1,4-dimethoxy-2-phenoxybenzene;molecular nitrogen?
The InChIKey is POXFAMVFUISMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3.N2/c1-15-12-8-9-13(16-2)14(10-12)17-11-6-4-3-5-7-11;1-2/h3-10H,1-2H3;.
What are the key properties of 1,4-dimethoxy-2-phenoxybenzene;molecular nitrogen?
1,4-dimethoxy-2-phenoxybenzene;molecular nitrogen has a molecular weight of 258.28 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethoxy-2-phenoxybenzene;molecular nitrogen is sourced from PubChem (CID 70565966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).