ethoxybenzene;molecular iodine

C8H10I2O — CID 67763605

IUPACethoxybenzene;molecular iodine
SMILESCCOc1ccccc1.II
InChIInChI=1S/C8H10O.I2/c1-2-9-8-6-4-3-5-7-8;1-2/h3-7H,2H2,1H3;
InChIKeyFZCXGFGYSMYRPN-UHFFFAOYSA-N
MW375.98 g/mol
LogP3.86
Rot. Bonds2

About ethoxybenzene;molecular iodine

ethoxybenzene;molecular iodine (PubChem CID 67763605) has the molecular formula C8H10I2O and a molecular weight of 375.98 g/mol. Its IUPAC name is ethoxybenzene;molecular iodine.

Molecular Properties

Compound Nameethoxybenzene;molecular iodine
PubChem CID67763605
Molecular FormulaC8H10I2O
Molecular Weight375.98 g/mol
Exact Mass375.88
IUPAC Nameethoxybenzene;molecular iodine
SMILESCCOc1ccccc1.II
InChIInChI=1S/C8H10O.I2/c1-2-9-8-6-4-3-5-7-8;1-2/h3-7H,2H2,1H3;
InChIKeyFZCXGFGYSMYRPN-UHFFFAOYSA-N
XLogP3.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.98
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze ethoxybenzene;molecular iodine 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

ethoxybenzene chloride
CID 21193593
ethoxybenzene;ethoxyethane
CID 67764259
ethoxybenzene tetrafluoroborate
CID 174807216
ethoxybenzene;propoxybenzene
CID 67747691
2-chloroacetic acid;ethoxybenzene
CID 174963019
4-ethoxy-N-(4-ethoxyphenyl)-N-phenylaniline
CID 18996804
1-ethoxy-4-(2-methyl-1-phenylpropyl)benzene
CID 58493580
ethoxybenzene;2-ethyloxirane
CID 160565923
1-ethoxy-4-(2-phenylethenyl)benzene
CID 54277622
4-ethoxy-1-iodo-2-phenylbenzene
CID 156900261
ethene;1-ethoxy-4-phenylmethoxybenzene
CID 174705965
1-ethoxy-4-phenylbenzene;phenol
CID 174652155

Frequently Asked Questions

What is the IUPAC name of ethoxybenzene;molecular iodine?
The IUPAC name of ethoxybenzene;molecular iodine (CID 67763605) is ethoxybenzene;molecular iodine.
What is the SMILES notation for ethoxybenzene;molecular iodine?
The canonical SMILES for ethoxybenzene;molecular iodine is CCOc1ccccc1.II.
What is the InChIKey of ethoxybenzene;molecular iodine?
The InChIKey is FZCXGFGYSMYRPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O.I2/c1-2-9-8-6-4-3-5-7-8;1-2/h3-7H,2H2,1H3;.
What are the key properties of ethoxybenzene;molecular iodine?
ethoxybenzene;molecular iodine has a molecular weight of 375.98 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxybenzene;molecular iodine is sourced from PubChem (CID 67763605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).