4-[(2R)-2-methoxypropoxy]-2-nitrophenol

C10H13NO5 — CID 170626778

IUPAC4-[(2R)-2-methoxypropoxy]-2-nitrophenol
SMILESCO[C@H](C)COc1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C10H13NO5/c1-7(15-2)6-16-8-3-4-10(12)9(5-8)11(13)14/h3-5,7,12H,6H2,1-2H3/t7-/m1/s1
InChIKeyGOKATSOFBRJNAD-SSDOTTSWSA-N
MW227.22 g/mol
LogP1.71
Rot. Bonds5

About 4-[(2R)-2-methoxypropoxy]-2-nitrophenol

4-[(2R)-2-methoxypropoxy]-2-nitrophenol (PubChem CID 170626778) has the molecular formula C10H13NO5 and a molecular weight of 227.22 g/mol. Its IUPAC name is 4-[(2R)-2-methoxypropoxy]-2-nitrophenol.

Molecular Properties

Compound Name4-[(2R)-2-methoxypropoxy]-2-nitrophenol
PubChem CID170626778
Molecular FormulaC10H13NO5
Molecular Weight227.22 g/mol
Exact Mass227.08
IUPAC Name4-[(2R)-2-methoxypropoxy]-2-nitrophenol
SMILESCO[C@H](C)COc1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C10H13NO5/c1-7(15-2)6-16-8-3-4-10(12)9(5-8)11(13)14/h3-5,7,12H,6H2,1-2H3/t7-/m1/s1
InChIKeyGOKATSOFBRJNAD-SSDOTTSWSA-N
XLogP1.71
TPSA81.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-nitro-4-propan-2-yloxyphenol
CID 11820026
4-(cyclopropylmethoxy)-2-nitrophenol
CID 170626751
2-nitro-4-octan-2-yloxyphenol
CID 22922931
(4-hydroxy-3-nitrophenyl) 2-methylpentanoate
CID 134497741
[4-(2-methoxypropoxy)-3-nitrophenyl]methanamine
CID 113382672
2-nitro-4-phenoxyphenol
CID 10775849
1-[4-(2-methoxypropoxy)-3-nitrophenyl]-N-methylmethanamine
CID 113382678
2-amino-3-(4-methoxy-3-nitrophenoxy)propanamide
CID 103201521
4-[4-(4-hydroxy-3-nitrophenoxy)-2,3,5-trimethylphenoxy]-2-nitrophenol
CID 139938756
2-methyl-3-(3-methyl-4-nitrophenoxy)propanoic acid
CID 43537785
5-(2-methylpropoxy)-2-nitrobenzaldehyde
CID 21469084
4-(4-methoxyphenyl)sulfanyl-2-nitrophenol
CID 91879724

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-methoxypropoxy]-2-nitrophenol?
The IUPAC name of 4-[(2R)-2-methoxypropoxy]-2-nitrophenol (CID 170626778) is 4-[(2R)-2-methoxypropoxy]-2-nitrophenol.
What is the SMILES notation for 4-[(2R)-2-methoxypropoxy]-2-nitrophenol?
The canonical SMILES for 4-[(2R)-2-methoxypropoxy]-2-nitrophenol is CO[C@H](C)COc1ccc(O)c([N+](=O)[O-])c1.
What is the InChIKey of 4-[(2R)-2-methoxypropoxy]-2-nitrophenol?
The InChIKey is GOKATSOFBRJNAD-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H13NO5/c1-7(15-2)6-16-8-3-4-10(12)9(5-8)11(13)14/h3-5,7,12H,6H2,1-2H3/t7-/m1/s1.
What are the key properties of 4-[(2R)-2-methoxypropoxy]-2-nitrophenol?
4-[(2R)-2-methoxypropoxy]-2-nitrophenol has a molecular weight of 227.22 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-methoxypropoxy]-2-nitrophenol is sourced from PubChem (CID 170626778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).