anisole;ethane;iodomethane;phenol

C23H31IO3 — CID 143200210

IUPACanisole;ethane;iodomethane;phenol
SMILESCC.CI.COc1ccccc1.COc1ccccc1.Oc1ccccc1
InChIInChI=1S/2C7H8O.C6H6O.C2H6.CH3I/c2*1-8-7-5-3-2-4-6-7;7-6-4-2-1-3-5-6;2*1-2/h2*2-6H,1H3;1-5,7H;1-2H3;1H3
InChIKeyKRHNARLVOJLRAX-UHFFFAOYSA-N
MW482.40 g/mol
LogP6.86
Rot. Bonds2

About anisole;ethane;iodomethane;phenol

anisole;ethane;iodomethane;phenol (PubChem CID 143200210) has the molecular formula C23H31IO3 and a molecular weight of 482.40 g/mol. Its IUPAC name is anisole;ethane;iodomethane;phenol.

Molecular Properties

Compound Nameanisole;ethane;iodomethane;phenol
PubChem CID143200210
Molecular FormulaC23H31IO3
Molecular Weight482.40 g/mol
Exact Mass482.13
IUPAC Nameanisole;ethane;iodomethane;phenol
SMILESCC.CI.COc1ccccc1.COc1ccccc1.Oc1ccccc1
InChIInChI=1S/2C7H8O.C6H6O.C2H6.CH3I/c2*1-8-7-5-3-2-4-6-7;7-6-4-2-1-3-5-6;2*1-2/h2*2-6H,1H3;1-5,7H;1-2H3;1H3
InChIKeyKRHNARLVOJLRAX-UHFFFAOYSA-N
XLogP6.86
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.40
LogP ≤ 56.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze anisole;ethane;iodomethane;phenol 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

1-methoxy-4-methylbenzene;phenol
CID 167630836
CID 172685187
CID 172685187
anisole;trihydrofluoride
CID 174796385
anisole;hydrochloride
CID 158800007
methoxymethane;phenol
CID 18763564
ethane;phenol
CID 161156308
anisole;ethane;propan-2-one
CID 164986667
benzene-1,2-diol;4-methoxyphenol
CID 70292826
1-methoxy-4-phenylbenzene;4-(4-methoxyphenyl)phenol
CID 69347648
anisole;carbanide;ethane;methoxymethane;yttrium
CID 162198050
anisole;diiodozinc
CID 174569089
acetylene;anisole
CID 86033716

Frequently Asked Questions

What is the IUPAC name of anisole;ethane;iodomethane;phenol?
The IUPAC name of anisole;ethane;iodomethane;phenol (CID 143200210) is anisole;ethane;iodomethane;phenol.
What is the SMILES notation for anisole;ethane;iodomethane;phenol?
The canonical SMILES for anisole;ethane;iodomethane;phenol is CC.CI.COc1ccccc1.COc1ccccc1.Oc1ccccc1.
What is the InChIKey of anisole;ethane;iodomethane;phenol?
The InChIKey is KRHNARLVOJLRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H8O.C6H6O.C2H6.CH3I/c2*1-8-7-5-3-2-4-6-7;7-6-4-2-1-3-5-6;2*1-2/h2*2-6H,1H3;1-5,7H;1-2H3;1H3.
What are the key properties of anisole;ethane;iodomethane;phenol?
anisole;ethane;iodomethane;phenol has a molecular weight of 482.40 g/mol, XLogP of 6.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for anisole;ethane;iodomethane;phenol is sourced from PubChem (CID 143200210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).