1-[(1S)-2-nitrocyclopropyl]-4-phenylmethoxybenzene

C16H15NO3 — CID 134350485

IUPAC1-[(1S)-2-nitrocyclopropyl]-4-phenylmethoxybenzene
SMILESO=[N+]([O-])C1C[C@H]1c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C16H15NO3/c18-17(19)16-10-15(16)13-6-8-14(9-7-13)20-11-12-4-2-1-3-5-12/h1-9,15-16H,10-11H2/t15-,16?/m0/s1
InChIKeyYFNSKRWAVGCAHS-VYRBHSGPSA-N
MW269.30 g/mol
LogP3.40
Rot. Bonds5

About 1-[(1S)-2-nitrocyclopropyl]-4-phenylmethoxybenzene

1-[(1S)-2-nitrocyclopropyl]-4-phenylmethoxybenzene (PubChem CID 134350485) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 1-[(1S)-2-nitrocyclopropyl]-4-phenylmethoxybenzene.

Molecular Properties

Compound Name1-[(1S)-2-nitrocyclopropyl]-4-phenylmethoxybenzene
PubChem CID134350485
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name1-[(1S)-2-nitrocyclopropyl]-4-phenylmethoxybenzene
SMILESO=[N+]([O-])C1C[C@H]1c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C16H15NO3/c18-17(19)16-10-15(16)13-6-8-14(9-7-13)20-11-12-4-2-1-3-5-12/h1-9,15-16H,10-11H2/t15-,16?/m0/s1
InChIKeyYFNSKRWAVGCAHS-VYRBHSGPSA-N
XLogP3.40
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

cis-(1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine
CID 51888240
1-[(1S,2R)-2-bromocyclopropyl]-4-phenylmethoxybenzene
CID 130539986
1-[(2R)-2-methylcyclopropyl]-4-phenylmethoxybenzene
CID 121309338
1-nitro-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 561294
4-methyl-2-(2-nitrocyclopropyl)-1-phenylmethoxybenzene
CID 154972368
1-benzyl-4-[(4-nitrophenyl)methoxy]benzene
CID 894511
1-benzyl-3-(4-ethoxyphenyl)-4-nitropyrrolidine
CID 134162701
N-[[2-(4-phenylmethoxyphenyl)cyclopropyl]methyl]ethanamine
CID 62703658
[2-(4-phenylmethoxyphenyl)cyclopropyl] butanoate
CID 174231833
2-[[[(1S,2R)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]methyl]-1,3-oxazol-5-amine
CID 56640131
N-methyl-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide
CID 56787945
trans-ethyl (1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxylate
CID 66714771

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-2-nitrocyclopropyl]-4-phenylmethoxybenzene?
The IUPAC name of 1-[(1S)-2-nitrocyclopropyl]-4-phenylmethoxybenzene (CID 134350485) is 1-[(1S)-2-nitrocyclopropyl]-4-phenylmethoxybenzene.
What is the SMILES notation for 1-[(1S)-2-nitrocyclopropyl]-4-phenylmethoxybenzene?
The canonical SMILES for 1-[(1S)-2-nitrocyclopropyl]-4-phenylmethoxybenzene is O=[N+]([O-])C1C[C@H]1c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 1-[(1S)-2-nitrocyclopropyl]-4-phenylmethoxybenzene?
The InChIKey is YFNSKRWAVGCAHS-VYRBHSGPSA-N. The full InChI is InChI=1S/C16H15NO3/c18-17(19)16-10-15(16)13-6-8-14(9-7-13)20-11-12-4-2-1-3-5-12/h1-9,15-16H,10-11H2/t15-,16?/m0/s1.
What are the key properties of 1-[(1S)-2-nitrocyclopropyl]-4-phenylmethoxybenzene?
1-[(1S)-2-nitrocyclopropyl]-4-phenylmethoxybenzene has a molecular weight of 269.30 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-2-nitrocyclopropyl]-4-phenylmethoxybenzene is sourced from PubChem (CID 134350485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).