(R)-(4-methyl-3-nitrophenyl)-(4-methylphenyl)methanol

C15H15NO3 — CID 100803998

IUPAC(R)-(4-methyl-3-nitrophenyl)-(4-methylphenyl)methanol
SMILESCc1ccc([C@@H](O)c2ccc(C)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C15H15NO3/c1-10-3-6-12(7-4-10)15(17)13-8-5-11(2)14(9-13)16(18)19/h3-9,15,17H,1-2H3/t15-/m1/s1
InChIKeyVEYNQIIAODTITQ-OAHLLOKOSA-N
MW257.29 g/mol
LogP3.29
Rot. Bonds3

About (R)-(4-methyl-3-nitrophenyl)-(4-methylphenyl)methanol

(R)-(4-methyl-3-nitrophenyl)-(4-methylphenyl)methanol (PubChem CID 100803998) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is (R)-(4-methyl-3-nitrophenyl)-(4-methylphenyl)methanol.

Molecular Properties

Compound Name(R)-(4-methyl-3-nitrophenyl)-(4-methylphenyl)methanol
PubChem CID100803998
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name(R)-(4-methyl-3-nitrophenyl)-(4-methylphenyl)methanol
SMILESCc1ccc([C@@H](O)c2ccc(C)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C15H15NO3/c1-10-3-6-12(7-4-10)15(17)13-8-5-11(2)14(9-13)16(18)19/h3-9,15,17H,1-2H3/t15-/m1/s1
InChIKeyVEYNQIIAODTITQ-OAHLLOKOSA-N
XLogP3.29
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 53.29
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

(3,4-dimethoxyphenyl)-(4-methyl-3-nitrophenyl)methanol
CID 91678407
(2R)-2-hydroxy-2-(4-methyl-3-nitrophenyl)acetic acid
CID 131420861
1,4-dimethyl-2-nitrobenzene
CID 20849377
4-(difluoromethyl)-1-methyl-2-nitrobenzene
CID 90322221
CID 158735382
CID 158735382
1-(4-methyl-3-nitrophenyl)-3-sulfanylpropane-1,2-diol
CID 170820355
3-hydroxy-2-methyl-3-(4-methyl-3-nitrophenyl)propanoic acid
CID 91648737
(2S)-2-bromo-2-(4-methyl-3-nitrophenyl)acetaldehyde
CID 155124414
[amino-(4-methyl-3-nitrophenyl)methyl]phosphonic acid
CID 4830676
3,4-dihydroxy-4-(4-methyl-3-nitrophenyl)butanamide
CID 171899653
1-[4-(4-methylphenoxy)-3-nitrophenyl]ethanol
CID 43506318
(1R)-2,2,2-trifluoro-1-(4-methyl-3-nitrophenyl)ethanamine
CID 66510281

Frequently Asked Questions

What is the IUPAC name of (R)-(4-methyl-3-nitrophenyl)-(4-methylphenyl)methanol?
The IUPAC name of (R)-(4-methyl-3-nitrophenyl)-(4-methylphenyl)methanol (CID 100803998) is (R)-(4-methyl-3-nitrophenyl)-(4-methylphenyl)methanol.
What is the SMILES notation for (R)-(4-methyl-3-nitrophenyl)-(4-methylphenyl)methanol?
The canonical SMILES for (R)-(4-methyl-3-nitrophenyl)-(4-methylphenyl)methanol is Cc1ccc([C@@H](O)c2ccc(C)c([N+](=O)[O-])c2)cc1.
What is the InChIKey of (R)-(4-methyl-3-nitrophenyl)-(4-methylphenyl)methanol?
The InChIKey is VEYNQIIAODTITQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H15NO3/c1-10-3-6-12(7-4-10)15(17)13-8-5-11(2)14(9-13)16(18)19/h3-9,15,17H,1-2H3/t15-/m1/s1.
What are the key properties of (R)-(4-methyl-3-nitrophenyl)-(4-methylphenyl)methanol?
(R)-(4-methyl-3-nitrophenyl)-(4-methylphenyl)methanol has a molecular weight of 257.29 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(4-methyl-3-nitrophenyl)-(4-methylphenyl)methanol is sourced from PubChem (CID 100803998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).