3-(3-methoxy-5-nitrophenoxy)propan-1-ol

C10H13NO5 — CID 178030483

IUPAC3-(3-methoxy-5-nitrophenoxy)propan-1-ol
SMILESCOc1cc(OCCCO)cc([N+](=O)[O-])c1
InChIInChI=1S/C10H13NO5/c1-15-9-5-8(11(13)14)6-10(7-9)16-4-2-3-12/h5-7,12H,2-4H2,1H3
InChIKeyRWBBRZHJCNETLR-UHFFFAOYSA-N
MW227.22 g/mol
LogP1.36
Rot. Bonds6

About 3-(3-methoxy-5-nitrophenoxy)propan-1-ol

3-(3-methoxy-5-nitrophenoxy)propan-1-ol (PubChem CID 178030483) has the molecular formula C10H13NO5 and a molecular weight of 227.22 g/mol. Its IUPAC name is 3-(3-methoxy-5-nitrophenoxy)propan-1-ol.

Molecular Properties

Compound Name3-(3-methoxy-5-nitrophenoxy)propan-1-ol
PubChem CID178030483
Molecular FormulaC10H13NO5
Molecular Weight227.22 g/mol
Exact Mass227.08
IUPAC Name3-(3-methoxy-5-nitrophenoxy)propan-1-ol
SMILESCOc1cc(OCCCO)cc([N+](=O)[O-])c1
InChIInChI=1S/C10H13NO5/c1-15-9-5-8(11(13)14)6-10(7-9)16-4-2-3-12/h5-7,12H,2-4H2,1H3
InChIKeyRWBBRZHJCNETLR-UHFFFAOYSA-N
XLogP1.36
TPSA81.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(3-methoxy-5-nitrophenoxy)propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-diethyl-2-(3-methoxy-5-nitrophenoxy)ethanamine
CID 142721432
N-[2-(3-methoxy-5-nitrophenoxy)ethyl]propan-1-amine
CID 80743291
[[3-(3-hydroxypropoxy)-5-nitrophenyl]methyl-methyl-oxo-λ6-sulfanylidene]carbamic acid
CID 135346563
[3-(2-methoxyethoxy)-5-nitrophenyl]methanol
CID 177331610
6-[(3-methoxy-5-nitrophenyl)methylamino]hexan-1-ol
CID 107851695
5-(3-methoxy-N-methyl-5-nitroanilino)pentan-1-ol
CID 107203458
tert-butyl N-[[3-(3-hydroxypropoxy)-5-nitrophenyl]methyl-methyl-oxo-λ6-sulfanylidene]carbamate
CID 142438628
methyl 2-[2-[2-(3-methoxy-5-nitrophenoxy)ethoxy]ethylsulfanyl]acetate
CID 131984971
3-(3-ethoxy-5-nitrophenoxy)propan-1-amine
CID 80744007
4-[(3-methoxy-5-nitrophenyl)methylamino]pentan-1-ol
CID 81154988
3-[(3-methoxy-5-nitrophenyl)methyl-propan-2-ylamino]propan-1-ol
CID 81165975
1,3-dimethoxy-5-[(4-nitrophenyl)methoxy]benzene
CID 7707175

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-5-nitrophenoxy)propan-1-ol?
The IUPAC name of 3-(3-methoxy-5-nitrophenoxy)propan-1-ol (CID 178030483) is 3-(3-methoxy-5-nitrophenoxy)propan-1-ol.
What is the SMILES notation for 3-(3-methoxy-5-nitrophenoxy)propan-1-ol?
The canonical SMILES for 3-(3-methoxy-5-nitrophenoxy)propan-1-ol is COc1cc(OCCCO)cc([N+](=O)[O-])c1.
What is the InChIKey of 3-(3-methoxy-5-nitrophenoxy)propan-1-ol?
The InChIKey is RWBBRZHJCNETLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO5/c1-15-9-5-8(11(13)14)6-10(7-9)16-4-2-3-12/h5-7,12H,2-4H2,1H3.
What are the key properties of 3-(3-methoxy-5-nitrophenoxy)propan-1-ol?
3-(3-methoxy-5-nitrophenoxy)propan-1-ol has a molecular weight of 227.22 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-5-nitrophenoxy)propan-1-ol is sourced from PubChem (CID 178030483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).