1-isocyano-4-(2-methoxyphenyl)benzene

C14H11NO — CID 59733289

IUPAC1-isocyano-4-(2-methoxyphenyl)benzene
SMILES[C-]#[N+]c1ccc(-c2ccccc2OC)cc1
InChIInChI=1S/C14H11NO/c1-15-12-9-7-11(8-10-12)13-5-3-4-6-14(13)16-2/h3-10H,2H3
InChIKeyDAPKNZCXOVJHAC-UHFFFAOYSA-N
MW209.25 g/mol
LogP3.91
Rot. Bonds2

About 1-isocyano-4-(2-methoxyphenyl)benzene

1-isocyano-4-(2-methoxyphenyl)benzene (PubChem CID 59733289) has the molecular formula C14H11NO and a molecular weight of 209.25 g/mol. Its IUPAC name is 1-isocyano-4-(2-methoxyphenyl)benzene.

Molecular Properties

Compound Name1-isocyano-4-(2-methoxyphenyl)benzene
PubChem CID59733289
Molecular FormulaC14H11NO
Molecular Weight209.25 g/mol
Exact Mass209.08
IUPAC Name1-isocyano-4-(2-methoxyphenyl)benzene
SMILES[C-]#[N+]c1ccc(-c2ccccc2OC)cc1
InChIInChI=1S/C14H11NO/c1-15-12-9-7-11(8-10-12)13-5-3-4-6-14(13)16-2/h3-10H,2H3
InChIKeyDAPKNZCXOVJHAC-UHFFFAOYSA-N
XLogP3.91
TPSA13.59 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-2-[4-[4-(2-methoxyphenyl)phenyl]phenyl]benzene
CID 86116478
1-isocyano-4-(2-methylphenyl)benzene
CID 20586732
4-(2-methoxyphenyl)aniline;molecular nitrogen
CID 70114722
1-[4-[4-(2-methoxyphenyl)phenyl]phenyl]ethanone
CID 23629162
1-isocyano-2-methoxybenzene
CID 583673
trans-(2S,4S)-3-[2-(4-isocyanophenyl)phenoxy]carbonyl-2,4-diphenylcyclobutane-1-carboxylic acid
CID 170520694
2-amino-1-[4-(2-methoxyphenyl)phenyl]ethanol
CID 82293708
4-(2-methoxyphenyl)benzenecarboximidamide
CID 82287821
1-(4-bromophenyl)-4-(2-methoxyphenyl)naphthalene
CID 102287803
N-[[4-(2-methoxyphenyl)phenyl]methyl]propan-1-amine
CID 54911552
tert-butyl 4-(2-methoxyphenyl)benzoate
CID 134941633
1-[2-hydroxy-5-(2-methoxyphenyl)phenyl]ethanone
CID 23004893

Frequently Asked Questions

What is the IUPAC name of 1-isocyano-4-(2-methoxyphenyl)benzene?
The IUPAC name of 1-isocyano-4-(2-methoxyphenyl)benzene (CID 59733289) is 1-isocyano-4-(2-methoxyphenyl)benzene.
What is the SMILES notation for 1-isocyano-4-(2-methoxyphenyl)benzene?
The canonical SMILES for 1-isocyano-4-(2-methoxyphenyl)benzene is [C-]#[N+]c1ccc(-c2ccccc2OC)cc1.
What is the InChIKey of 1-isocyano-4-(2-methoxyphenyl)benzene?
The InChIKey is DAPKNZCXOVJHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO/c1-15-12-9-7-11(8-10-12)13-5-3-4-6-14(13)16-2/h3-10H,2H3.
What are the key properties of 1-isocyano-4-(2-methoxyphenyl)benzene?
1-isocyano-4-(2-methoxyphenyl)benzene has a molecular weight of 209.25 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isocyano-4-(2-methoxyphenyl)benzene is sourced from PubChem (CID 59733289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).