ethoxybenzene;ethoxyethane

C12H20O2 — CID 67764259

IUPACethoxybenzene;ethoxyethane
SMILESCCOCC.CCOc1ccccc1
InChIInChI=1S/C8H10O.C4H10O/c1-2-9-8-6-4-3-5-7-8;1-3-5-4-2/h3-7H,2H2,1H3;3-4H2,1-2H3
InChIKeyLBYGPFJOXKFPDJ-UHFFFAOYSA-N
MW196.29 g/mol
LogP3.13
Rot. Bonds4

About ethoxybenzene;ethoxyethane

ethoxybenzene;ethoxyethane (PubChem CID 67764259) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is ethoxybenzene;ethoxyethane.

Molecular Properties

Compound Nameethoxybenzene;ethoxyethane
PubChem CID67764259
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Nameethoxybenzene;ethoxyethane
SMILESCCOCC.CCOc1ccccc1
InChIInChI=1S/C8H10O.C4H10O/c1-2-9-8-6-4-3-5-7-8;1-3-5-4-2/h3-7H,2H2,1H3;3-4H2,1-2H3
InChIKeyLBYGPFJOXKFPDJ-UHFFFAOYSA-N
XLogP3.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethoxybenzene chloride
CID 21193593
ethoxybenzene;molecular iodine
CID 67763605
ethoxybenzene tetrafluoroborate
CID 174807216
ethoxybenzene;propoxybenzene
CID 67747691
ethoxyethane;2-ethoxynaphthalene
CID 118982387
2-chloroacetic acid;ethoxybenzene
CID 174963019
4-ethoxy-N-(4-ethoxyphenyl)-N-phenylaniline
CID 18996804
2-(2-ethoxyethylsulfanyl)ethoxybenzene
CID 112777213
1-ethoxy-4-(2-methyl-1-phenylpropyl)benzene
CID 58493580
ethoxybenzene;2-ethyloxirane
CID 160565923
1-(ethoxymethoxy)-4-phenylbenzene
CID 146557132
1-ethoxy-4-(2-phenylethenyl)benzene
CID 54277622

Frequently Asked Questions

What is the IUPAC name of ethoxybenzene;ethoxyethane?
The IUPAC name of ethoxybenzene;ethoxyethane (CID 67764259) is ethoxybenzene;ethoxyethane.
What is the SMILES notation for ethoxybenzene;ethoxyethane?
The canonical SMILES for ethoxybenzene;ethoxyethane is CCOCC.CCOc1ccccc1.
What is the InChIKey of ethoxybenzene;ethoxyethane?
The InChIKey is LBYGPFJOXKFPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O.C4H10O/c1-2-9-8-6-4-3-5-7-8;1-3-5-4-2/h3-7H,2H2,1H3;3-4H2,1-2H3.
What are the key properties of ethoxybenzene;ethoxyethane?
ethoxybenzene;ethoxyethane has a molecular weight of 196.29 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxybenzene;ethoxyethane is sourced from PubChem (CID 67764259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).