(E)-3-methyl-4-(3-nitrophenyl)but-3-en-2-ol

C11H13NO3 — CID 103091267

IUPAC(E)-3-methyl-4-(3-nitrophenyl)but-3-en-2-ol
SMILESC/C(=C\c1cccc([N+](=O)[O-])c1)C(C)O
InChIInChI=1S/C11H13NO3/c1-8(9(2)13)6-10-4-3-5-11(7-10)12(14)15/h3-7,9,13H,1-2H3/b8-6+
InChIKeyOSEWBPYSZLYCSP-SOFGYWHQSA-N
MW207.23 g/mol
LogP2.38
Rot. Bonds3

About (E)-3-methyl-4-(3-nitrophenyl)but-3-en-2-ol

(E)-3-methyl-4-(3-nitrophenyl)but-3-en-2-ol (PubChem CID 103091267) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is (E)-3-methyl-4-(3-nitrophenyl)but-3-en-2-ol.

Molecular Properties

Compound Name(E)-3-methyl-4-(3-nitrophenyl)but-3-en-2-ol
PubChem CID103091267
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name(E)-3-methyl-4-(3-nitrophenyl)but-3-en-2-ol
SMILESC/C(=C\c1cccc([N+](=O)[O-])c1)C(C)O
InChIInChI=1S/C11H13NO3/c1-8(9(2)13)6-10-4-3-5-11(7-10)12(14)15/h3-7,9,13H,1-2H3/b8-6+
InChIKeyOSEWBPYSZLYCSP-SOFGYWHQSA-N
XLogP2.38
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 52.38
H-Bond Donors ≤ 51
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

2-methyl-1-(3-nitrophenyl)pent-1-en-4-yn-3-ol
CID 173438756
1-(3-nitrophenyl)prop-1-en-2-yl acetate
CID 131853460
1-[(Z)-2-iodoprop-1-enyl]-3-nitrobenzene
CID 11822354
(Z)-2-methyl-3-(3-nitrophenyl)prop-2-enenitrile
CID 102180856
1-nitro-3-[2-(3-nitrophenyl)ethenyl]benzene
CID 622998
2-acetamido-3-(3-nitrophenyl)-N-propan-2-ylprop-2-enamide
CID 4205408
(E)-4-(4-chloro-3-nitrophenyl)-3-methylbut-3-en-2-ol
CID 103091050
2-acetamido-3-(3-nitrophenyl)-N-(1-phenylethyl)prop-2-enamide
CID 4926221
(E)-N,N-bis[(2S)-butan-2-yl]-3-(3-nitrophenyl)prop-2-enamide
CID 5415778
3-(3-nitrophenyl)pentane-2,4-diol
CID 10376360
(Z)-1-(diethylamino)-2-(3-nitrophenyl)ethenol
CID 139242791
4-(3-nitrophenyl)-3-pyrimidin-2-ylbut-3-en-2-one
CID 54092816

Frequently Asked Questions

What is the IUPAC name of (E)-3-methyl-4-(3-nitrophenyl)but-3-en-2-ol?
The IUPAC name of (E)-3-methyl-4-(3-nitrophenyl)but-3-en-2-ol (CID 103091267) is (E)-3-methyl-4-(3-nitrophenyl)but-3-en-2-ol.
What is the SMILES notation for (E)-3-methyl-4-(3-nitrophenyl)but-3-en-2-ol?
The canonical SMILES for (E)-3-methyl-4-(3-nitrophenyl)but-3-en-2-ol is C/C(=C\c1cccc([N+](=O)[O-])c1)C(C)O.
What is the InChIKey of (E)-3-methyl-4-(3-nitrophenyl)but-3-en-2-ol?
The InChIKey is OSEWBPYSZLYCSP-SOFGYWHQSA-N. The full InChI is InChI=1S/C11H13NO3/c1-8(9(2)13)6-10-4-3-5-11(7-10)12(14)15/h3-7,9,13H,1-2H3/b8-6+.
What are the key properties of (E)-3-methyl-4-(3-nitrophenyl)but-3-en-2-ol?
(E)-3-methyl-4-(3-nitrophenyl)but-3-en-2-ol has a molecular weight of 207.23 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methyl-4-(3-nitrophenyl)but-3-en-2-ol is sourced from PubChem (CID 103091267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).