(Z)-4-methyl-3-(4-nitrophenyl)pent-2-en-1-ol

C12H15NO3 — CID 10933009

IUPAC(Z)-4-methyl-3-(4-nitrophenyl)pent-2-en-1-ol
SMILESCC(C)/C(=C/CO)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C12H15NO3/c1-9(2)12(7-8-14)10-3-5-11(6-4-10)13(15)16/h3-7,9,14H,8H2,1-2H3/b12-7-
InChIKeyWKFFVFQPRBZSER-GHXNOFRVSA-N
MW221.26 g/mol
LogP2.63
Rot. Bonds4

About (Z)-4-methyl-3-(4-nitrophenyl)pent-2-en-1-ol

(Z)-4-methyl-3-(4-nitrophenyl)pent-2-en-1-ol (PubChem CID 10933009) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is (Z)-4-methyl-3-(4-nitrophenyl)pent-2-en-1-ol.

Molecular Properties

Compound Name(Z)-4-methyl-3-(4-nitrophenyl)pent-2-en-1-ol
PubChem CID10933009
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name(Z)-4-methyl-3-(4-nitrophenyl)pent-2-en-1-ol
SMILESCC(C)/C(=C/CO)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C12H15NO3/c1-9(2)12(7-8-14)10-3-5-11(6-4-10)13(15)16/h3-7,9,14H,8H2,1-2H3/b12-7-
InChIKeyWKFFVFQPRBZSER-GHXNOFRVSA-N
XLogP2.63
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 52.63
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

5-(4-nitrophenyl)pent-4-yn-2-ol
CID 10910665
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CID 150333476
N-(2-hydroxyethyl)-4-nitro-N-propan-2-ylbenzamide
CID 43573013
N,N-bis[(2R)-butan-2-yl]-4-nitrobenzamide
CID 844902
(2R)-2-methyl-4-(4-nitrophenyl)-4-oxobutanoic acid
CID 825773
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CID 591695
1-(4-nitrophenyl)-2-(propan-2-ylamino)ethanone
CID 82101560
3-hydroxy-1-(4-nitrophenyl)butan-2-one
CID 90923881
[(2S)-6-methylhept-5-en-2-yl] 4-nitrobenzoate
CID 165348555
ethane;1-(4-nitrophenyl)ethanone
CID 172597016
ethanol;1-methyl-4-nitrobenzene
CID 91088173
1-(1-fluoroethenyl)-4-nitrobenzene
CID 11205987

Frequently Asked Questions

What is the IUPAC name of (Z)-4-methyl-3-(4-nitrophenyl)pent-2-en-1-ol?
The IUPAC name of (Z)-4-methyl-3-(4-nitrophenyl)pent-2-en-1-ol (CID 10933009) is (Z)-4-methyl-3-(4-nitrophenyl)pent-2-en-1-ol.
What is the SMILES notation for (Z)-4-methyl-3-(4-nitrophenyl)pent-2-en-1-ol?
The canonical SMILES for (Z)-4-methyl-3-(4-nitrophenyl)pent-2-en-1-ol is CC(C)/C(=C/CO)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (Z)-4-methyl-3-(4-nitrophenyl)pent-2-en-1-ol?
The InChIKey is WKFFVFQPRBZSER-GHXNOFRVSA-N. The full InChI is InChI=1S/C12H15NO3/c1-9(2)12(7-8-14)10-3-5-11(6-4-10)13(15)16/h3-7,9,14H,8H2,1-2H3/b12-7-.
What are the key properties of (Z)-4-methyl-3-(4-nitrophenyl)pent-2-en-1-ol?
(Z)-4-methyl-3-(4-nitrophenyl)pent-2-en-1-ol has a molecular weight of 221.26 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-methyl-3-(4-nitrophenyl)pent-2-en-1-ol is sourced from PubChem (CID 10933009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).