(R)-cyclopentyl-(2-nitrophenyl)methanol

C12H15NO3 — CID 125472167

IUPAC(R)-cyclopentyl-(2-nitrophenyl)methanol
SMILESO=[N+]([O-])c1ccccc1[C@H](O)C1CCCC1
InChIInChI=1S/C12H15NO3/c14-12(9-5-1-2-6-9)10-7-3-4-8-11(10)13(15)16/h3-4,7-9,12,14H,1-2,5-6H2/t12-/m1/s1
InChIKeyMLDVIJUTDGPRKZ-GFCCVEGCSA-N
MW221.26 g/mol
LogP2.82
Rot. Bonds3

About (R)-cyclopentyl-(2-nitrophenyl)methanol

(R)-cyclopentyl-(2-nitrophenyl)methanol (PubChem CID 125472167) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is (R)-cyclopentyl-(2-nitrophenyl)methanol.

Molecular Properties

Compound Name(R)-cyclopentyl-(2-nitrophenyl)methanol
PubChem CID125472167
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name(R)-cyclopentyl-(2-nitrophenyl)methanol
SMILESO=[N+]([O-])c1ccccc1[C@H](O)C1CCCC1
InChIInChI=1S/C12H15NO3/c14-12(9-5-1-2-6-9)10-7-3-4-8-11(10)13(15)16/h3-4,7-9,12,14H,1-2,5-6H2/t12-/m1/s1
InChIKeyMLDVIJUTDGPRKZ-GFCCVEGCSA-N
XLogP2.82
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 52.82
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-nitrophenyl)-(oxiran-2-yl)methanol
CID 91127425
(1S)-1-cyclopentyl-N-[1-(2-nitrophenyl)ethyl]ethanamine
CID 81385572
(R)-cyclopropyl-(2-nitrophenyl)methanamine;hydrochloride
CID 171198305
cyclohexyl-(6-nitro-1,3-benzodioxol-5-yl)methanol
CID 177352286
2-[(S)-hydroxy-(2-nitrophenyl)methyl]-4-methylcyclohexan-1-one
CID 177401375
1-[(S)-cyclopentyl-(2-nitrophenyl)methyl]piperazine;dihydrochloride
CID 171272631
(R)-(2-chlorophenyl)-cyclopentylmethanol
CID 93462160
(R)-cyclopentyl-(2-methylphenyl)methanol
CID 93312335
1-(2-nitrophenyl)propane-1,2-diol
CID 10943439
2,2,2-trichloro-1-(2-nitrophenyl)ethanol
CID 11207975
1-[(S)-cyclobutyl-(2-nitrophenyl)methyl]piperazine
CID 171272628
1-(2-nitrophenyl)-2-(propan-2-ylamino)ethanol
CID 54182099

Frequently Asked Questions

What is the IUPAC name of (R)-cyclopentyl-(2-nitrophenyl)methanol?
The IUPAC name of (R)-cyclopentyl-(2-nitrophenyl)methanol (CID 125472167) is (R)-cyclopentyl-(2-nitrophenyl)methanol.
What is the SMILES notation for (R)-cyclopentyl-(2-nitrophenyl)methanol?
The canonical SMILES for (R)-cyclopentyl-(2-nitrophenyl)methanol is O=[N+]([O-])c1ccccc1[C@H](O)C1CCCC1.
What is the InChIKey of (R)-cyclopentyl-(2-nitrophenyl)methanol?
The InChIKey is MLDVIJUTDGPRKZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H15NO3/c14-12(9-5-1-2-6-9)10-7-3-4-8-11(10)13(15)16/h3-4,7-9,12,14H,1-2,5-6H2/t12-/m1/s1.
What are the key properties of (R)-cyclopentyl-(2-nitrophenyl)methanol?
(R)-cyclopentyl-(2-nitrophenyl)methanol has a molecular weight of 221.26 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-cyclopentyl-(2-nitrophenyl)methanol is sourced from PubChem (CID 125472167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).