1-[(E)-2-nitroprop-1-enyl]-3-phenylmethoxybenzene

C16H15NO3 — CID 24721025

IUPAC1-[(E)-2-nitroprop-1-enyl]-3-phenylmethoxybenzene
SMILESC/C(=C\c1cccc(OCc2ccccc2)c1)[N+](=O)[O-]
InChIInChI=1S/C16H15NO3/c1-13(17(18)19)10-15-8-5-9-16(11-15)20-12-14-6-3-2-4-7-14/h2-11H,12H2,1H3/b13-10+
InChIKeyBNXZEKSTKKDLJS-JLHYYAGUSA-N
MW269.30 g/mol
LogP3.90
Rot. Bonds5

About 1-[(E)-2-nitroprop-1-enyl]-3-phenylmethoxybenzene

1-[(E)-2-nitroprop-1-enyl]-3-phenylmethoxybenzene (PubChem CID 24721025) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 1-[(E)-2-nitroprop-1-enyl]-3-phenylmethoxybenzene.

Molecular Properties

Compound Name1-[(E)-2-nitroprop-1-enyl]-3-phenylmethoxybenzene
PubChem CID24721025
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name1-[(E)-2-nitroprop-1-enyl]-3-phenylmethoxybenzene
SMILESC/C(=C\c1cccc(OCc2ccccc2)c1)[N+](=O)[O-]
InChIInChI=1S/C16H15NO3/c1-13(17(18)19)10-15-8-5-9-16(11-15)20-12-14-6-3-2-4-7-14/h2-11H,12H2,1H3/b13-10+
InChIKeyBNXZEKSTKKDLJS-JLHYYAGUSA-N
XLogP3.90
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 ≤ 53.90
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

1-[(Z)-2-nitroprop-1-enyl]-3-propoxybenzene
CID 21160899
1-(2-ethoxyprop-1-enyl)-3-phenylmethoxybenzene
CID 57058324
2-nitroprop-1-enylbenzene
CID 12807
2-ethoxy-3-(3-phenylmethoxyphenyl)prop-2-enoic acid
CID 69009380
2-methyl-1-[(E)-2-nitroprop-1-enyl]-3-phenylmethoxybenzene
CID 134610819
(E)-3-methoxycarbonyl-4-(3-phenylmethoxyphenyl)but-3-enoic acid
CID 68858206
(E)-4-(3-phenylmethoxyphenyl)but-3-enoic acid
CID 102534265
N-hydroxy-2-(3-phenylmethoxyphenyl)ethenamine oxide
CID 163182445
3-[[3-[[3-[(3-phenylmethoxyphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]benzaldehyde
CID 11156824
ethyl (2E)-2-[(3-phenylmethoxyphenyl)methylidene]butanoate
CID 59590524
(E)-2-(3-nitrobenzoyl)-3-(3-phenylmethoxyphenyl)prop-2-enenitrile
CID 21381550
2-cyano-3-(3-phenylmethoxyphenyl)prop-2-enamide
CID 2853976

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-nitroprop-1-enyl]-3-phenylmethoxybenzene?
The IUPAC name of 1-[(E)-2-nitroprop-1-enyl]-3-phenylmethoxybenzene (CID 24721025) is 1-[(E)-2-nitroprop-1-enyl]-3-phenylmethoxybenzene.
What is the SMILES notation for 1-[(E)-2-nitroprop-1-enyl]-3-phenylmethoxybenzene?
The canonical SMILES for 1-[(E)-2-nitroprop-1-enyl]-3-phenylmethoxybenzene is C/C(=C\c1cccc(OCc2ccccc2)c1)[N+](=O)[O-].
What is the InChIKey of 1-[(E)-2-nitroprop-1-enyl]-3-phenylmethoxybenzene?
The InChIKey is BNXZEKSTKKDLJS-JLHYYAGUSA-N. The full InChI is InChI=1S/C16H15NO3/c1-13(17(18)19)10-15-8-5-9-16(11-15)20-12-14-6-3-2-4-7-14/h2-11H,12H2,1H3/b13-10+.
What are the key properties of 1-[(E)-2-nitroprop-1-enyl]-3-phenylmethoxybenzene?
1-[(E)-2-nitroprop-1-enyl]-3-phenylmethoxybenzene has a molecular weight of 269.30 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-nitroprop-1-enyl]-3-phenylmethoxybenzene is sourced from PubChem (CID 24721025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).