(S)-(2-nitrophenyl)-thiophen-3-ylmethanol

C11H9NO3S — CID 125475406

IUPAC(S)-(2-nitrophenyl)-thiophen-3-ylmethanol
SMILESO=[N+]([O-])c1ccccc1[C@H](O)c1ccsc1
InChIInChI=1S/C11H9NO3S/c13-11(8-5-6-16-7-8)9-3-1-2-4-10(9)12(14)15/h1-7,11,13H/t11-/m1/s1
InChIKeyGZWHWCKBDKFPKJ-LLVKDONJSA-N
MW235.26 g/mol
LogP2.74
Rot. Bonds3

About (S)-(2-nitrophenyl)-thiophen-3-ylmethanol

(S)-(2-nitrophenyl)-thiophen-3-ylmethanol (PubChem CID 125475406) has the molecular formula C11H9NO3S and a molecular weight of 235.26 g/mol. Its IUPAC name is (S)-(2-nitrophenyl)-thiophen-3-ylmethanol.

Molecular Properties

Compound Name(S)-(2-nitrophenyl)-thiophen-3-ylmethanol
PubChem CID125475406
Molecular FormulaC11H9NO3S
Molecular Weight235.26 g/mol
Exact Mass235.03
IUPAC Name(S)-(2-nitrophenyl)-thiophen-3-ylmethanol
SMILESO=[N+]([O-])c1ccccc1[C@H](O)c1ccsc1
InChIInChI=1S/C11H9NO3S/c13-11(8-5-6-16-7-8)9-3-1-2-4-10(9)12(14)15/h1-7,11,13H/t11-/m1/s1
InChIKeyGZWHWCKBDKFPKJ-LLVKDONJSA-N
XLogP2.74
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 52.74
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

(R)-(2-nitrophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171217826
2-[hydroxy(thiophen-3-yl)methyl]phenol
CID 155686195
(S)-(2-propan-2-ylphenyl)-thiophen-3-ylmethanol
CID 97293180
N-(2-hydroxy-2-thiophen-3-ylethyl)-2-nitrobenzamide
CID 90496477
(R)-(2-methoxyphenyl)-thiophen-3-ylmethanol
CID 93312294
(2-nitrophenyl)-(2,3,4,5,6-pentafluorophenyl)methanol
CID 45103211
(R)-(2-nitrophenyl)-pyridin-2-ylmethanol
CID 98041201
1-(2-nitrophenyl)propane-1,2-diol
CID 10943439
2,2,2-trichloro-1-(2-nitrophenyl)ethanol
CID 11207975
(2-fluoro-3-pyridinyl)-(2-nitrophenyl)methanol
CID 12711118
1-(dibromomethyl)-2-nitrobenzene
CID 11066341
(S)-(5-fluoro-2-nitrophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171206031

Frequently Asked Questions

What is the IUPAC name of (S)-(2-nitrophenyl)-thiophen-3-ylmethanol?
The IUPAC name of (S)-(2-nitrophenyl)-thiophen-3-ylmethanol (CID 125475406) is (S)-(2-nitrophenyl)-thiophen-3-ylmethanol.
What is the SMILES notation for (S)-(2-nitrophenyl)-thiophen-3-ylmethanol?
The canonical SMILES for (S)-(2-nitrophenyl)-thiophen-3-ylmethanol is O=[N+]([O-])c1ccccc1[C@H](O)c1ccsc1.
What is the InChIKey of (S)-(2-nitrophenyl)-thiophen-3-ylmethanol?
The InChIKey is GZWHWCKBDKFPKJ-LLVKDONJSA-N. The full InChI is InChI=1S/C11H9NO3S/c13-11(8-5-6-16-7-8)9-3-1-2-4-10(9)12(14)15/h1-7,11,13H/t11-/m1/s1.
What are the key properties of (S)-(2-nitrophenyl)-thiophen-3-ylmethanol?
(S)-(2-nitrophenyl)-thiophen-3-ylmethanol has a molecular weight of 235.26 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(2-nitrophenyl)-thiophen-3-ylmethanol is sourced from PubChem (CID 125475406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).