2-(2-chloro-5-methoxy-4-nitrophenyl)ethanol

C9H10ClNO4 — CID 67469173

IUPAC2-(2-chloro-5-methoxy-4-nitrophenyl)ethanol
SMILESCOc1cc(CCO)c(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C9H10ClNO4/c1-15-9-4-6(2-3-12)7(10)5-8(9)11(13)14/h4-5,12H,2-3H2,1H3
InChIKeyOOVAAHWMQDRQKM-UHFFFAOYSA-N
MW231.63 g/mol
LogP1.79
Rot. Bonds4

About 2-(2-chloro-5-methoxy-4-nitrophenyl)ethanol

2-(2-chloro-5-methoxy-4-nitrophenyl)ethanol (PubChem CID 67469173) has the molecular formula C9H10ClNO4 and a molecular weight of 231.63 g/mol. Its IUPAC name is 2-(2-chloro-5-methoxy-4-nitrophenyl)ethanol.

Molecular Properties

Compound Name2-(2-chloro-5-methoxy-4-nitrophenyl)ethanol
PubChem CID67469173
Molecular FormulaC9H10ClNO4
Molecular Weight231.63 g/mol
Exact Mass231.03
IUPAC Name2-(2-chloro-5-methoxy-4-nitrophenyl)ethanol
SMILESCOc1cc(CCO)c(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C9H10ClNO4/c1-15-9-4-6(2-3-12)7(10)5-8(9)11(13)14/h4-5,12H,2-3H2,1H3
InChIKeyOOVAAHWMQDRQKM-UHFFFAOYSA-N
XLogP1.79
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.63
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

1-chloro-4-methoxy-2-(methoxymethyl)-5-nitrobenzene
CID 130271092
2-(2-chloro-4-methoxy-5-nitrophenyl)acetic acid
CID 171002675
1-chloro-2,5-dimethoxy-4-nitrobenzene;methanol
CID 174813767
2-(5-chloro-2-ethyl-4-methoxyphenyl)ethanol
CID 117306101
2-(5-chloro-4-methoxy-2-nitrophenyl)acetic acid
CID 171003063
4-methoxy-5-nitrobenzene-1,2-diol
CID 86249066
5-chloro-2-(2-hydroxyethyl)-4-methoxyphenol
CID 117291172
N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-nitrobenzamide
CID 54785579
2-(2-amino-4-chloro-5-nitrophenyl)ethanol
CID 11138530
2-(2-chlorophenyl)-1-(4-methoxy-3-nitrophenyl)ethanone
CID 61056876
2-chloro-5-methoxy-N-(2-methoxyethyl)-N-methyl-4-nitroaniline
CID 142513074
2-(2,5-dimethoxy-4-nitrophenyl)acetonitrile
CID 91620311

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-methoxy-4-nitrophenyl)ethanol?
The IUPAC name of 2-(2-chloro-5-methoxy-4-nitrophenyl)ethanol (CID 67469173) is 2-(2-chloro-5-methoxy-4-nitrophenyl)ethanol.
What is the SMILES notation for 2-(2-chloro-5-methoxy-4-nitrophenyl)ethanol?
The canonical SMILES for 2-(2-chloro-5-methoxy-4-nitrophenyl)ethanol is COc1cc(CCO)c(Cl)cc1[N+](=O)[O-].
What is the InChIKey of 2-(2-chloro-5-methoxy-4-nitrophenyl)ethanol?
The InChIKey is OOVAAHWMQDRQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO4/c1-15-9-4-6(2-3-12)7(10)5-8(9)11(13)14/h4-5,12H,2-3H2,1H3.
What are the key properties of 2-(2-chloro-5-methoxy-4-nitrophenyl)ethanol?
2-(2-chloro-5-methoxy-4-nitrophenyl)ethanol has a molecular weight of 231.63 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-methoxy-4-nitrophenyl)ethanol is sourced from PubChem (CID 67469173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).