(R)-(3,4-dimethylphenyl)-(3-nitrophenyl)methanol

C15H15NO3 — CID 100803950

IUPAC(R)-(3,4-dimethylphenyl)-(3-nitrophenyl)methanol
SMILESCc1ccc([C@@H](O)c2cccc([N+](=O)[O-])c2)cc1C
InChIInChI=1S/C15H15NO3/c1-10-6-7-13(8-11(10)2)15(17)12-4-3-5-14(9-12)16(18)19/h3-9,15,17H,1-2H3/t15-/m0/s1
InChIKeyDOEFDDZJWYMHQG-HNNXBMFYSA-N
MW257.29 g/mol
LogP3.29
Rot. Bonds3

About (R)-(3,4-dimethylphenyl)-(3-nitrophenyl)methanol

(R)-(3,4-dimethylphenyl)-(3-nitrophenyl)methanol (PubChem CID 100803950) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is (R)-(3,4-dimethylphenyl)-(3-nitrophenyl)methanol.

Molecular Properties

Compound Name(R)-(3,4-dimethylphenyl)-(3-nitrophenyl)methanol
PubChem CID100803950
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name(R)-(3,4-dimethylphenyl)-(3-nitrophenyl)methanol
SMILESCc1ccc([C@@H](O)c2cccc([N+](=O)[O-])c2)cc1C
InChIInChI=1S/C15H15NO3/c1-10-6-7-13(8-11(10)2)15(17)12-4-3-5-14(9-12)16(18)19/h3-9,15,17H,1-2H3/t15-/m0/s1
InChIKeyDOEFDDZJWYMHQG-HNNXBMFYSA-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

(S)-(3-nitrophenyl)-phenylmethanol
CID 15984760
(R)-(4-ethoxyphenyl)-(3-nitrophenyl)methanol
CID 100803960
N-[1-(3,4-dimethylphenyl)ethyl]-3-nitroaniline
CID 43717983
3,4-dimethyl-N-[1-(3-nitrophenyl)ethyl]aniline
CID 43081035
3-(3-nitrophenyl)pentane-2,4-diol
CID 10376360
(R)-dibenzofuran-3-yl-(3-nitrophenyl)methanol
CID 100804365
4-methyl-3-(3-nitrophenyl)pentan-2-ol
CID 56637223
(1S,2R)-1-amino-1-(3-nitrophenyl)propan-2-ol
CID 130639568
ethane;1-nitro-3-propan-2-ylbenzene
CID 162531562
2-hydroxy-2-(3-nitrophenyl)acetate
CID 19968019
(3,4-dimethylphenyl)-(3-nitrophenyl)methanone
CID 3084858
(1S)-N-[(3,4-dimethylphenyl)-(3-nitrophenyl)methyl]-1-ethylcyclohexa-2,4-dien-1-amine
CID 175235813

Frequently Asked Questions

What is the IUPAC name of (R)-(3,4-dimethylphenyl)-(3-nitrophenyl)methanol?
The IUPAC name of (R)-(3,4-dimethylphenyl)-(3-nitrophenyl)methanol (CID 100803950) is (R)-(3,4-dimethylphenyl)-(3-nitrophenyl)methanol.
What is the SMILES notation for (R)-(3,4-dimethylphenyl)-(3-nitrophenyl)methanol?
The canonical SMILES for (R)-(3,4-dimethylphenyl)-(3-nitrophenyl)methanol is Cc1ccc([C@@H](O)c2cccc([N+](=O)[O-])c2)cc1C.
What is the InChIKey of (R)-(3,4-dimethylphenyl)-(3-nitrophenyl)methanol?
The InChIKey is DOEFDDZJWYMHQG-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-10-6-7-13(8-11(10)2)15(17)12-4-3-5-14(9-12)16(18)19/h3-9,15,17H,1-2H3/t15-/m0/s1.
What are the key properties of (R)-(3,4-dimethylphenyl)-(3-nitrophenyl)methanol?
(R)-(3,4-dimethylphenyl)-(3-nitrophenyl)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)-(3,4-dimethylphenyl)-(3-nitrophenyl)methanol is sourced from PubChem (CID 100803950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).