(S)-(4-nitrophenyl)-phenylmethanol

C13H11NO3 — CID 15555304

IUPAC(S)-(4-nitrophenyl)-phenylmethanol
SMILESO=[N+]([O-])c1ccc([C@@H](O)c2ccccc2)cc1
InChIInChI=1S/C13H11NO3/c15-13(10-4-2-1-3-5-10)11-6-8-12(9-7-11)14(16)17/h1-9,13,15H/t13-/m0/s1
InChIKeyVSPFOJXMIPUMEK-ZDUSSCGKSA-N
MW229.24 g/mol
LogP2.68
Rot. Bonds3

About (S)-(4-nitrophenyl)-phenylmethanol

(S)-(4-nitrophenyl)-phenylmethanol (PubChem CID 15555304) has the molecular formula C13H11NO3 and a molecular weight of 229.24 g/mol. Its IUPAC name is (S)-(4-nitrophenyl)-phenylmethanol.

Molecular Properties

Compound Name(S)-(4-nitrophenyl)-phenylmethanol
PubChem CID15555304
Molecular FormulaC13H11NO3
Molecular Weight229.24 g/mol
Exact Mass229.07
IUPAC Name(S)-(4-nitrophenyl)-phenylmethanol
SMILESO=[N+]([O-])c1ccc([C@@H](O)c2ccccc2)cc1
InChIInChI=1S/C13H11NO3/c15-13(10-4-2-1-3-5-10)11-6-8-12(9-7-11)14(16)17/h1-9,13,15H/t13-/m0/s1
InChIKeyVSPFOJXMIPUMEK-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

bis(4-nitrophenyl)methanol
CID 12768612
(S)-(3-nitrophenyl)-phenylmethanol
CID 15984760
(4-aminophenyl)-phenylmethanol;(4-aminophenyl)-phenylmethanone;(4-nitrophenyl)-phenylmethanone
CID 157315680
1-nitro-4-(1-phenylethyl)benzene
CID 11790935
(4-nitrophenyl)-phenylmethanamine
CID 19975165
1-[benzhydrylsulfanyl(phenyl)methyl]-4-nitrobenzene
CID 172821851
N-[1-(4-nitrophenyl)ethyl]-1-phenylethanamine
CID 43297246
(1S,2S,3S)-3-chloro-2-methyl-1-(4-nitrophenyl)-3-phenylpropan-1-ol
CID 101391114
4-(4-nitrophenyl)-4-phenylbutanoic acid
CID 70520346
(3,4-dimethoxyphenyl)-(4-nitrophenyl)methanol
CID 91678450
[(4-nitrophenyl)-phenylmethoxy] hydrogen carbonate
CID 19760090
1-(4-nitrophenyl)-3-phenylpropan-1-ol
CID 155543661

Frequently Asked Questions

What is the IUPAC name of (S)-(4-nitrophenyl)-phenylmethanol?
The IUPAC name of (S)-(4-nitrophenyl)-phenylmethanol (CID 15555304) is (S)-(4-nitrophenyl)-phenylmethanol.
What is the SMILES notation for (S)-(4-nitrophenyl)-phenylmethanol?
The canonical SMILES for (S)-(4-nitrophenyl)-phenylmethanol is O=[N+]([O-])c1ccc([C@@H](O)c2ccccc2)cc1.
What is the InChIKey of (S)-(4-nitrophenyl)-phenylmethanol?
The InChIKey is VSPFOJXMIPUMEK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H11NO3/c15-13(10-4-2-1-3-5-10)11-6-8-12(9-7-11)14(16)17/h1-9,13,15H/t13-/m0/s1.
What are the key properties of (S)-(4-nitrophenyl)-phenylmethanol?
(S)-(4-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)-(4-nitrophenyl)-phenylmethanol is sourced from PubChem (CID 15555304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).