(2-nitro-4-prop-1-enoxyphenyl)methanol

C10H11NO4 — CID 162372488

IUPAC(2-nitro-4-prop-1-enoxyphenyl)methanol
SMILESCC=COc1ccc(CO)c([N+](=O)[O-])c1
InChIInChI=1S/C10H11NO4/c1-2-5-15-9-4-3-8(7-12)10(6-9)11(13)14/h2-6,12H,7H2,1H3
InChIKeyQTMHIXFBKKIHLY-UHFFFAOYSA-N
MW209.20 g/mol
LogP2.00
Rot. Bonds4

About (2-nitro-4-prop-1-enoxyphenyl)methanol

(2-nitro-4-prop-1-enoxyphenyl)methanol (PubChem CID 162372488) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is (2-nitro-4-prop-1-enoxyphenyl)methanol.

Molecular Properties

Compound Name(2-nitro-4-prop-1-enoxyphenyl)methanol
PubChem CID162372488
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Name(2-nitro-4-prop-1-enoxyphenyl)methanol
SMILESCC=COc1ccc(CO)c([N+](=O)[O-])c1
InChIInChI=1S/C10H11NO4/c1-2-5-15-9-4-3-8(7-12)10(6-9)11(13)14/h2-6,12H,7H2,1H3
InChIKeyQTMHIXFBKKIHLY-UHFFFAOYSA-N
XLogP2.00
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', '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

(5-methoxy-2-nitro-4-prop-1-enoxyphenyl)methanol
CID 162372482
[2-nitro-4-(trifluoromethoxy)phenyl]methanol
CID 171028713
(4-ethyl-3-nitrophenyl) formate
CID 157109477
4-(hydroxymethyl)-3-nitro-N-oxobenzamide
CID 118508346
[4-(deuteriomethyl)-2-nitrophenyl]methanol
CID 58232059
[5-(hydroxymethyl)-2,4-dinitrophenyl]methanol
CID 3316930
3-[4-(hydroxymethyl)-3-nitrophenyl]prop-2-en-1-ol
CID 169453917
(3-nitronaphthalen-2-yl)methanol
CID 4076989
(2,4,5-trinitrophenyl)methanol
CID 53422846
4-methoxy-1-(methoxymethyl)-2-nitrobenzene
CID 10584070
tert-butyl 4-(hydroxymethyl)-3-nitrobenzoate
CID 22672699
methanol;(2-nitrophenyl)methanol
CID 70046885

Frequently Asked Questions

What is the IUPAC name of (2-nitro-4-prop-1-enoxyphenyl)methanol?
The IUPAC name of (2-nitro-4-prop-1-enoxyphenyl)methanol (CID 162372488) is (2-nitro-4-prop-1-enoxyphenyl)methanol.
What is the SMILES notation for (2-nitro-4-prop-1-enoxyphenyl)methanol?
The canonical SMILES for (2-nitro-4-prop-1-enoxyphenyl)methanol is CC=COc1ccc(CO)c([N+](=O)[O-])c1.
What is the InChIKey of (2-nitro-4-prop-1-enoxyphenyl)methanol?
The InChIKey is QTMHIXFBKKIHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4/c1-2-5-15-9-4-3-8(7-12)10(6-9)11(13)14/h2-6,12H,7H2,1H3.
What are the key properties of (2-nitro-4-prop-1-enoxyphenyl)methanol?
(2-nitro-4-prop-1-enoxyphenyl)methanol has a molecular weight of 209.20 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-nitro-4-prop-1-enoxyphenyl)methanol is sourced from PubChem (CID 162372488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).