2-(4-chloro-2-nitrophenyl)-1-cyclopropylethanol

C11H12ClNO3 — CID 63353057

IUPAC2-(4-chloro-2-nitrophenyl)-1-cyclopropylethanol
SMILESO=[N+]([O-])c1cc(Cl)ccc1CC(O)C1CC1
InChIInChI=1S/C11H12ClNO3/c12-9-4-3-8(10(6-9)13(15)16)5-11(14)7-1-2-7/h3-4,6-7,11,14H,1-2,5H2
InChIKeyFUSNTDZOFHLDEV-UHFFFAOYSA-N
MW241.67 g/mol
LogP2.56
Rot. Bonds4

About 2-(4-chloro-2-nitrophenyl)-1-cyclopropylethanol

2-(4-chloro-2-nitrophenyl)-1-cyclopropylethanol (PubChem CID 63353057) has the molecular formula C11H12ClNO3 and a molecular weight of 241.67 g/mol. Its IUPAC name is 2-(4-chloro-2-nitrophenyl)-1-cyclopropylethanol.

Molecular Properties

Compound Name2-(4-chloro-2-nitrophenyl)-1-cyclopropylethanol
PubChem CID63353057
Molecular FormulaC11H12ClNO3
Molecular Weight241.67 g/mol
Exact Mass241.05
IUPAC Name2-(4-chloro-2-nitrophenyl)-1-cyclopropylethanol
SMILESO=[N+]([O-])c1cc(Cl)ccc1CC(O)C1CC1
InChIInChI=1S/C11H12ClNO3/c12-9-4-3-8(10(6-9)13(15)16)5-11(14)7-1-2-7/h3-4,6-7,11,14H,1-2,5H2
InChIKeyFUSNTDZOFHLDEV-UHFFFAOYSA-N
XLogP2.56
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.67
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(4-chloro-2-nitrophenyl)-1-cyclopentylethanamine
CID 112570226
1-(2-bromo-2-chloroethyl)-4-chloro-2-nitrobenzene
CID 12958684
1-cyclopropyl-3-(2,4-dinitrophenyl)propan-1-ol
CID 66223940
1-(2-chloro-2-cyclopropylethyl)-4-fluoro-2-nitrobenzene
CID 63352830
2-(4-chloro-2-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanol
CID 114854696
4-(4-chloro-2-nitrophenyl)-3-methylbutan-2-amine
CID 62101611
1-(4-chloro-2-nitrophenyl)pentan-3-ol
CID 62100784
2-[(4-chloro-2-nitrophenyl)methyl-cyclobutylamino]ethanol
CID 102677159
(1R)-N-[(4-chloro-2-nitrophenyl)methyl]-1-cyclohexylethanamine
CID 81384533
2-[(4-chloro-2-nitrophenyl)methyl]-3-methoxy-3-oxopropanoic acid
CID 113360324
1-(2-chloro-2-cyclopropylethyl)-4-methoxy-2-nitrobenzene
CID 63353069
methyl 2-amino-3-(4-chloro-2-nitrophenyl)propanoate;hydrochloride
CID 155858941

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-nitrophenyl)-1-cyclopropylethanol?
The IUPAC name of 2-(4-chloro-2-nitrophenyl)-1-cyclopropylethanol (CID 63353057) is 2-(4-chloro-2-nitrophenyl)-1-cyclopropylethanol.
What is the SMILES notation for 2-(4-chloro-2-nitrophenyl)-1-cyclopropylethanol?
The canonical SMILES for 2-(4-chloro-2-nitrophenyl)-1-cyclopropylethanol is O=[N+]([O-])c1cc(Cl)ccc1CC(O)C1CC1.
What is the InChIKey of 2-(4-chloro-2-nitrophenyl)-1-cyclopropylethanol?
The InChIKey is FUSNTDZOFHLDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO3/c12-9-4-3-8(10(6-9)13(15)16)5-11(14)7-1-2-7/h3-4,6-7,11,14H,1-2,5H2.
What are the key properties of 2-(4-chloro-2-nitrophenyl)-1-cyclopropylethanol?
2-(4-chloro-2-nitrophenyl)-1-cyclopropylethanol has a molecular weight of 241.67 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-nitrophenyl)-1-cyclopropylethanol is sourced from PubChem (CID 63353057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).