(5-methyl-2-nitrophenyl)-(2-phenoxyphenyl)methanol

C20H17NO4 — CID 163666008

IUPAC(5-methyl-2-nitrophenyl)-(2-phenoxyphenyl)methanol
SMILESCc1ccc([N+](=O)[O-])c(C(O)c2ccccc2Oc2ccccc2)c1
InChIInChI=1S/C20H17NO4/c1-14-11-12-18(21(23)24)17(13-14)20(22)16-9-5-6-10-19(16)25-15-7-3-2-4-8-15/h2-13,20,22H,1H3
InChIKeyIYMPJDOBMXDQRH-UHFFFAOYSA-N
MW335.36 g/mol
LogP4.78
Rot. Bonds5

About (5-methyl-2-nitrophenyl)-(2-phenoxyphenyl)methanol

(5-methyl-2-nitrophenyl)-(2-phenoxyphenyl)methanol (PubChem CID 163666008) has the molecular formula C20H17NO4 and a molecular weight of 335.36 g/mol. Its IUPAC name is (5-methyl-2-nitrophenyl)-(2-phenoxyphenyl)methanol.

Molecular Properties

Compound Name(5-methyl-2-nitrophenyl)-(2-phenoxyphenyl)methanol
PubChem CID163666008
Molecular FormulaC20H17NO4
Molecular Weight335.36 g/mol
Exact Mass335.12
IUPAC Name(5-methyl-2-nitrophenyl)-(2-phenoxyphenyl)methanol
SMILESCc1ccc([N+](=O)[O-])c(C(O)c2ccccc2Oc2ccccc2)c1
InChIInChI=1S/C20H17NO4/c1-14-11-12-18(21(23)24)17(13-14)20(22)16-9-5-6-10-19(16)25-15-7-3-2-4-8-15/h2-13,20,22H,1H3
InChIKeyIYMPJDOBMXDQRH-UHFFFAOYSA-N
XLogP4.78
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (5-methyl-2-nitrophenyl)-(2-phenoxyphenyl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-1-[2-(5-methyl-2-nitrophenoxy)phenyl]ethanol
CID 78941825
(1S)-1-[2-(5-methyl-2-nitrophenoxy)phenyl]ethanol
CID 63374737
(1R)-1-(5-methyl-2-nitrophenyl)ethanol
CID 144909779
(1R)-1-[2-(4-methyl-2-nitrophenoxy)phenyl]propan-1-ol
CID 103960594
1-(4-methylphenoxy)-2-nitrobenzene
CID 3377310
1,2-dimethyl-4-nitro-5-phenoxybenzene
CID 12887119
4-methyl-1-phenoxy-2-propan-2-ylbenzene
CID 54452186
1-[2-(3-nitrophenoxy)phenyl]ethanol
CID 54915432
(1S)-1-[2-(3-fluoro-4-nitrophenoxy)phenyl]propan-1-ol
CID 103960599
(1S)-1-[2-(4-methoxy-3-nitrophenoxy)phenyl]ethanol
CID 103201808
(2S)-2-amino-2-(5-methyl-2-nitrophenyl)ethanol
CID 130607743
3-[hydroxy-(2-nitrophenyl)methyl]-6-methylchromen-4-one
CID 11197695

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-nitrophenyl)-(2-phenoxyphenyl)methanol?
The IUPAC name of (5-methyl-2-nitrophenyl)-(2-phenoxyphenyl)methanol (CID 163666008) is (5-methyl-2-nitrophenyl)-(2-phenoxyphenyl)methanol.
What is the SMILES notation for (5-methyl-2-nitrophenyl)-(2-phenoxyphenyl)methanol?
The canonical SMILES for (5-methyl-2-nitrophenyl)-(2-phenoxyphenyl)methanol is Cc1ccc([N+](=O)[O-])c(C(O)c2ccccc2Oc2ccccc2)c1.
What is the InChIKey of (5-methyl-2-nitrophenyl)-(2-phenoxyphenyl)methanol?
The InChIKey is IYMPJDOBMXDQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO4/c1-14-11-12-18(21(23)24)17(13-14)20(22)16-9-5-6-10-19(16)25-15-7-3-2-4-8-15/h2-13,20,22H,1H3.
What are the key properties of (5-methyl-2-nitrophenyl)-(2-phenoxyphenyl)methanol?
(5-methyl-2-nitrophenyl)-(2-phenoxyphenyl)methanol has a molecular weight of 335.36 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-nitrophenyl)-(2-phenoxyphenyl)methanol is sourced from PubChem (CID 163666008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).