(2-nitro-1-phenyl-1-prop-2-enoxyethyl)benzene

C17H17NO3 — CID 11000538

IUPAC(2-nitro-1-phenyl-1-prop-2-enoxyethyl)benzene
SMILESC=CCOC(C[N+](=O)[O-])(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H17NO3/c1-2-13-21-17(14-18(19)20,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h2-12H,1,13-14H2
InChIKeyGPGQRGQCFGBRJF-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.41
Rot. Bonds7

About (2-nitro-1-phenyl-1-prop-2-enoxyethyl)benzene

(2-nitro-1-phenyl-1-prop-2-enoxyethyl)benzene (PubChem CID 11000538) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is (2-nitro-1-phenyl-1-prop-2-enoxyethyl)benzene.

Molecular Properties

Compound Name(2-nitro-1-phenyl-1-prop-2-enoxyethyl)benzene
PubChem CID11000538
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name(2-nitro-1-phenyl-1-prop-2-enoxyethyl)benzene
SMILESC=CCOC(C[N+](=O)[O-])(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H17NO3/c1-2-13-21-17(14-18(19)20,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h2-12H,1,13-14H2
InChIKeyGPGQRGQCFGBRJF-UHFFFAOYSA-N
XLogP3.41
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2,2-diphenyl-2-prop-2-enoxyethyl)-pentafluoro-λ6-sulfane
CID 155206785
1,1,2-trinitroethylbenzene
CID 18981522
(1,1-dimethoxy-2-nitroethyl)benzene
CID 822390
tert-butyl N-[4-(2-nitro-1,1-diphenylethoxy)butyl]carbamate
CID 155613187
(2R)-1-nitro-2-phenylpropan-2-ol
CID 101414779
[(2R)-2-prop-2-enoxypent-4-en-2-yl]benzene
CID 100966368
1-chloro-2-nitro-1-phenylethanol
CID 174781178
[(2S)-2-prop-2-enoxypent-4-en-2-yl]benzene
CID 100966369
(2R)-2-phenyl-2-prop-2-enoxypent-4-enal
CID 101079976
(2R)-2-phenyl-2-prop-2-enoxypent-4-en-1-ol
CID 101079972
(3S)-3-methyl-4-nitro-3-phenylbutanal
CID 121218200
[(3S,4R)-3,4-bis(prop-2-enoxy)hepta-1,6-dien-4-yl]benzene
CID 101079968

Frequently Asked Questions

What is the IUPAC name of (2-nitro-1-phenyl-1-prop-2-enoxyethyl)benzene?
The IUPAC name of (2-nitro-1-phenyl-1-prop-2-enoxyethyl)benzene (CID 11000538) is (2-nitro-1-phenyl-1-prop-2-enoxyethyl)benzene.
What is the SMILES notation for (2-nitro-1-phenyl-1-prop-2-enoxyethyl)benzene?
The canonical SMILES for (2-nitro-1-phenyl-1-prop-2-enoxyethyl)benzene is C=CCOC(C[N+](=O)[O-])(c1ccccc1)c1ccccc1.
What is the InChIKey of (2-nitro-1-phenyl-1-prop-2-enoxyethyl)benzene?
The InChIKey is GPGQRGQCFGBRJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-2-13-21-17(14-18(19)20,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h2-12H,1,13-14H2.
What are the key properties of (2-nitro-1-phenyl-1-prop-2-enoxyethyl)benzene?
(2-nitro-1-phenyl-1-prop-2-enoxyethyl)benzene has a molecular weight of 283.33 g/mol, XLogP of 3.41, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-nitro-1-phenyl-1-prop-2-enoxyethyl)benzene is sourced from PubChem (CID 11000538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).