2-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]phenol

C20H17NO4 — CID 68788738

IUPAC2-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]phenol
SMILESCOc1ccc(Cc2ccccc2O)cc1-c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C20H17NO4/c1-25-20-10-9-14(11-16-5-2-3-8-19(16)22)12-18(20)15-6-4-7-17(13-15)21(23)24/h2-10,12-13,22H,11H2,1H3
InChIKeyALFRPNFYGPZPFP-UHFFFAOYSA-N
MW335.36 g/mol
LogP4.57
Rot. Bonds5

About 2-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]phenol

2-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]phenol (PubChem CID 68788738) has the molecular formula C20H17NO4 and a molecular weight of 335.36 g/mol. Its IUPAC name is 2-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]phenol.

Molecular Properties

Compound Name2-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]phenol
PubChem CID68788738
Molecular FormulaC20H17NO4
Molecular Weight335.36 g/mol
Exact Mass335.12
IUPAC Name2-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]phenol
SMILESCOc1ccc(Cc2ccccc2O)cc1-c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C20H17NO4/c1-25-20-10-9-14(11-16-5-2-3-8-19(16)22)12-18(20)15-6-4-7-17(13-15)21(23)24/h2-10,12-13,22H,11H2,1H3
InChIKeyALFRPNFYGPZPFP-UHFFFAOYSA-N
XLogP4.57
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 ≤ 54.57
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'}

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Related Compounds

methyl 5-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]-6-oxo-1H-pyridine-2-carboxylate
CID 68786234
2-[4-methoxy-3-(3-nitrophenyl)phenyl]acetonitrile
CID 68788538
methane;[2-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]phenyl]methanol;methyl 2-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]benzoate;oxolane
CID 157120343
3-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]-1H-pyridazin-6-one
CID 58019968
1-fluoro-2-[(4-fluorophenyl)methyl]-5-methoxy-4-(3-nitrophenyl)benzene
CID 68790258
tert-butyl N-[[3-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]phenyl]methyl]carbamate
CID 58020362
6-[(4-aminophenyl)methyl]-3-methoxy-2-(3-nitrophenyl)phenol
CID 70267226
4-methoxy-3-(3-nitrophenyl)benzoyl chloride
CID 118072392
[4,5-dimethoxy-2-(3-nitrophenyl)phenyl]methanamine
CID 61385627
3-methoxy-4-(3-nitrophenyl)phenol
CID 24767500
4-[4-methoxy-3-(3-nitrophenyl)phenyl]pyridine
CID 15453442
4-[4-methoxy-3-(3-nitrophenyl)phenyl]benzamide
CID 18476102

Frequently Asked Questions

What is the IUPAC name of 2-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]phenol?
The IUPAC name of 2-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]phenol (CID 68788738) is 2-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]phenol.
What is the SMILES notation for 2-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]phenol?
The canonical SMILES for 2-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]phenol is COc1ccc(Cc2ccccc2O)cc1-c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]phenol?
The InChIKey is ALFRPNFYGPZPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO4/c1-25-20-10-9-14(11-16-5-2-3-8-19(16)22)12-18(20)15-6-4-7-17(13-15)21(23)24/h2-10,12-13,22H,11H2,1H3.
What are the key properties of 2-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]phenol?
2-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]phenol has a molecular weight of 335.36 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]phenol is sourced from PubChem (CID 68788738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).