(S)-(3-nitrophenyl)-phenylmethanol

C13H11NO3 — CID 15984760

IUPAC(S)-(3-nitrophenyl)-phenylmethanol
SMILESO=[N+]([O-])c1cccc([C@@H](O)c2ccccc2)c1
InChIInChI=1S/C13H11NO3/c15-13(10-5-2-1-3-6-10)11-7-4-8-12(9-11)14(16)17/h1-9,13,15H/t13-/m0/s1
InChIKeyMFQIIAVCROYVQC-ZDUSSCGKSA-N
MW229.24 g/mol
LogP2.68
Rot. Bonds3

About (S)-(3-nitrophenyl)-phenylmethanol

(S)-(3-nitrophenyl)-phenylmethanol (PubChem CID 15984760) has the molecular formula C13H11NO3 and a molecular weight of 229.24 g/mol. Its IUPAC name is (S)-(3-nitrophenyl)-phenylmethanol.

Molecular Properties

Compound Name(S)-(3-nitrophenyl)-phenylmethanol
PubChem CID15984760
Molecular FormulaC13H11NO3
Molecular Weight229.24 g/mol
Exact Mass229.07
IUPAC Name(S)-(3-nitrophenyl)-phenylmethanol
SMILESO=[N+]([O-])c1cccc([C@@H](O)c2ccccc2)c1
InChIInChI=1S/C13H11NO3/c15-13(10-5-2-1-3-6-10)11-7-4-8-12(9-11)14(16)17/h1-9,13,15H/t13-/m0/s1
InChIKeyMFQIIAVCROYVQC-ZDUSSCGKSA-N
XLogP2.68
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 52.68
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

(S)-(4-nitrophenyl)-phenylmethanol
CID 15555304
(R)-(3,4-dimethylphenyl)-(3-nitrophenyl)methanol
CID 100803950
(R)-(4-ethoxyphenyl)-(3-nitrophenyl)methanol
CID 100803960
(1R)-2,2,2-trichloro-1-(3-nitrophenyl)ethanol
CID 6922856
(R)-dibenzofuran-3-yl-(3-nitrophenyl)methanol
CID 100804365
2-hydroxy-2-(3-nitrophenyl)acetate
CID 19968019
3-(3-nitrophenyl)pentane-2,4-diol
CID 10376360
1-nitro-3-(2-nitro-1-phenylethyl)benzene
CID 3919494
(1S)-2-amino-1-(3-nitrophenyl)ethanol
CID 55264567
(1S,2R)-1-amino-1-(3-nitrophenyl)propan-2-ol
CID 130639568
4-methyl-3-(3-nitrophenyl)pentan-2-ol
CID 56637223
bis(4-nitrophenyl)methanol
CID 12768612

Frequently Asked Questions

What is the IUPAC name of (S)-(3-nitrophenyl)-phenylmethanol?
The IUPAC name of (S)-(3-nitrophenyl)-phenylmethanol (CID 15984760) is (S)-(3-nitrophenyl)-phenylmethanol.
What is the SMILES notation for (S)-(3-nitrophenyl)-phenylmethanol?
The canonical SMILES for (S)-(3-nitrophenyl)-phenylmethanol is O=[N+]([O-])c1cccc([C@@H](O)c2ccccc2)c1.
What is the InChIKey of (S)-(3-nitrophenyl)-phenylmethanol?
The InChIKey is MFQIIAVCROYVQC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H11NO3/c15-13(10-5-2-1-3-6-10)11-7-4-8-12(9-11)14(16)17/h1-9,13,15H/t13-/m0/s1.
What are the key properties of (S)-(3-nitrophenyl)-phenylmethanol?
(S)-(3-nitrophenyl)-phenylmethanol has a molecular weight of 229.24 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(3-nitrophenyl)-phenylmethanol is sourced from PubChem (CID 15984760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).