[3-(2-methoxyethoxy)-5-nitrophenyl]methanol

C10H13NO5 — CID 177331610

IUPAC[3-(2-methoxyethoxy)-5-nitrophenyl]methanol
SMILESCOCCOc1cc(CO)cc([N+](=O)[O-])c1
InChIInChI=1S/C10H13NO5/c1-15-2-3-16-10-5-8(7-12)4-9(6-10)11(13)14/h4-6,12H,2-3,7H2,1H3
InChIKeyKVNJBDFHAHURLX-UHFFFAOYSA-N
MW227.22 g/mol
LogP1.11
Rot. Bonds6

About [3-(2-methoxyethoxy)-5-nitrophenyl]methanol

[3-(2-methoxyethoxy)-5-nitrophenyl]methanol (PubChem CID 177331610) has the molecular formula C10H13NO5 and a molecular weight of 227.22 g/mol. Its IUPAC name is [3-(2-methoxyethoxy)-5-nitrophenyl]methanol.

Molecular Properties

Compound Name[3-(2-methoxyethoxy)-5-nitrophenyl]methanol
PubChem CID177331610
Molecular FormulaC10H13NO5
Molecular Weight227.22 g/mol
Exact Mass227.08
IUPAC Name[3-(2-methoxyethoxy)-5-nitrophenyl]methanol
SMILESCOCCOc1cc(CO)cc([N+](=O)[O-])c1
InChIInChI=1S/C10H13NO5/c1-15-2-3-16-10-5-8(7-12)4-9(6-10)11(13)14/h4-6,12H,2-3,7H2,1H3
InChIKeyKVNJBDFHAHURLX-UHFFFAOYSA-N
XLogP1.11
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 ≤ 51.11
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'}

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Related Compounds

[3-(hydroxymethyl)-5-nitrophenyl]methanol
CID 603032
3-(3-methoxy-5-nitrophenoxy)propan-1-ol
CID 178030483
methyl 3-(hydroxymethyl)-5-nitrobenzoate
CID 10703703
(3-methyl-5-nitrophenyl)methanol
CID 14033015
[4-[(3-methoxy-5-nitrophenyl)methoxy]phenyl]methanol
CID 81152309
[[3-(3-hydroxypropoxy)-5-nitrophenyl]methyl-methyl-oxo-λ6-sulfanylidene]carbamic acid
CID 135346563
[3-(cyclopropylmethoxy)-5-(2-methoxyethoxy)phenyl]methanol
CID 67543873
methyl 5-[3-[[(S)-methylsulfinyl]methyl]-5-nitrophenoxy]pentanoate
CID 135346558
methyl 3-(3-bromo-5-nitrophenoxy)propanoate
CID 103588445
[3-(aminomethyl)-5-nitrophenyl]methanol
CID 143211941
N-[[3-(2-methoxyethoxy)phenyl]methyl]-2-(4-nitrophenyl)acetamide
CID 87005469
N-(2-methoxyethyl)-3-nitro-5-propoxyaniline
CID 80723800

Frequently Asked Questions

What is the IUPAC name of [3-(2-methoxyethoxy)-5-nitrophenyl]methanol?
The IUPAC name of [3-(2-methoxyethoxy)-5-nitrophenyl]methanol (CID 177331610) is [3-(2-methoxyethoxy)-5-nitrophenyl]methanol.
What is the SMILES notation for [3-(2-methoxyethoxy)-5-nitrophenyl]methanol?
The canonical SMILES for [3-(2-methoxyethoxy)-5-nitrophenyl]methanol is COCCOc1cc(CO)cc([N+](=O)[O-])c1.
What is the InChIKey of [3-(2-methoxyethoxy)-5-nitrophenyl]methanol?
The InChIKey is KVNJBDFHAHURLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO5/c1-15-2-3-16-10-5-8(7-12)4-9(6-10)11(13)14/h4-6,12H,2-3,7H2,1H3.
What are the key properties of [3-(2-methoxyethoxy)-5-nitrophenyl]methanol?
[3-(2-methoxyethoxy)-5-nitrophenyl]methanol has a molecular weight of 227.22 g/mol, XLogP of 1.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methoxyethoxy)-5-nitrophenyl]methanol is sourced from PubChem (CID 177331610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).