[2-[(1R)-2-nitro-1-phenylethyl]phenyl]methanol

C15H15NO3 — CID 71367990

IUPAC[2-[(1R)-2-nitro-1-phenylethyl]phenyl]methanol
SMILESO=[N+]([O-])C[C@H](c1ccccc1)c1ccccc1CO
InChIInChI=1S/C15H15NO3/c17-11-13-8-4-5-9-14(13)15(10-16(18)19)12-6-2-1-3-7-12/h1-9,15,17H,10-11H2/t15-/m1/s1
InChIKeyYAOYSTQKWJGYMG-OAHLLOKOSA-N
MW257.29 g/mol
LogP2.59
Rot. Bonds5

About [2-[(1R)-2-nitro-1-phenylethyl]phenyl]methanol

[2-[(1R)-2-nitro-1-phenylethyl]phenyl]methanol (PubChem CID 71367990) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is [2-[(1R)-2-nitro-1-phenylethyl]phenyl]methanol.

Molecular Properties

Compound Name[2-[(1R)-2-nitro-1-phenylethyl]phenyl]methanol
PubChem CID71367990
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name[2-[(1R)-2-nitro-1-phenylethyl]phenyl]methanol
SMILESO=[N+]([O-])C[C@H](c1ccccc1)c1ccccc1CO
InChIInChI=1S/C15H15NO3/c17-11-13-8-4-5-9-14(13)15(10-16(18)19)12-6-2-1-3-7-12/h1-9,15,17H,10-11H2/t15-/m1/s1
InChIKeyYAOYSTQKWJGYMG-OAHLLOKOSA-N
XLogP2.59
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.59
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-[(1S)-2-nitro-1-phenylethyl]phenol
CID 132503470
(2-nitro-1-phenylethyl)benzene
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CID 10064288
3-(2-nitro-1-phenylethyl)-1H-indole
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[2-(1-phenylpentyl)phenyl]methanol
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1-[1-(4-bromophenyl)-2-nitroethyl]-2-(methoxymethoxymethyl)benzene
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[(1R)-1-chloro-2-nitroethyl]benzene
CID 164680326
[2-[(1S)-3-[di(propan-2-yl)amino]-1-phenylpropyl]phenyl]methanol
CID 54021285
1-nitro-3-(2-nitro-1-phenylethyl)benzene
CID 3919494
1-[2-(aminomethyl)phenyl]-2-nitroethanol
CID 152641794
(3S)-4-nitro-1,3-diphenylbutan-2-one
CID 163572422
(3R)-4-nitro-3-phenylbutanoic acid
CID 26339937

Frequently Asked Questions

What is the IUPAC name of [2-[(1R)-2-nitro-1-phenylethyl]phenyl]methanol?
The IUPAC name of [2-[(1R)-2-nitro-1-phenylethyl]phenyl]methanol (CID 71367990) is [2-[(1R)-2-nitro-1-phenylethyl]phenyl]methanol.
What is the SMILES notation for [2-[(1R)-2-nitro-1-phenylethyl]phenyl]methanol?
The canonical SMILES for [2-[(1R)-2-nitro-1-phenylethyl]phenyl]methanol is O=[N+]([O-])C[C@H](c1ccccc1)c1ccccc1CO.
What is the InChIKey of [2-[(1R)-2-nitro-1-phenylethyl]phenyl]methanol?
The InChIKey is YAOYSTQKWJGYMG-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H15NO3/c17-11-13-8-4-5-9-14(13)15(10-16(18)19)12-6-2-1-3-7-12/h1-9,15,17H,10-11H2/t15-/m1/s1.
What are the key properties of [2-[(1R)-2-nitro-1-phenylethyl]phenyl]methanol?
[2-[(1R)-2-nitro-1-phenylethyl]phenyl]methanol has a molecular weight of 257.29 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1R)-2-nitro-1-phenylethyl]phenyl]methanol is sourced from PubChem (CID 71367990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).