Phenetole

C8H10O — CID 7674

IUPACethoxybenzene
SMILESCCOC1=CC=CC=C1
InChIInChI=1S/C8H10O/c1-2-9-8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKeyDLRJIFUOBPOJNS-UHFFFAOYSA-N
MW122.16 g/mol
LogP2.50
Rot. Bonds2

About Phenetole

Phenetole (PubChem CID 7674) has the molecular formula C8H10O and a molecular weight of 122.16 g/mol. Its IUPAC name is ethoxybenzene.

Molecular Properties

Compound NamePhenetole
PubChem CID7674
Molecular FormulaC8H10O
Molecular Weight122.16 g/mol
Exact Mass122.07
IUPAC Nameethoxybenzene
SMILESCCOC1=CC=CC=C1
InChIInChI=1S/C8H10O/c1-2-9-8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKeyDLRJIFUOBPOJNS-UHFFFAOYSA-N
XLogP2.50
TPSA9.20 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity65

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.16
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Anethole
CID 637563
Phenoxyethanol
CID 31236
Phenyl glycidyl ether
CID 31217
Diphenyl Ether
CID 7583
Anisole
CID 7519
Phenyl acetate
CID 31229
Veratrole
CID 7043
1-Phenoxy-2-propanol
CID 92839
4-Methylanisole
CID 7731
1,4-Dimethoxybenzene
CID 9016
4-Ethoxyphenol
CID 12150
cis-Anethole
CID 1549040

Frequently Asked Questions

What is the IUPAC name of Phenetole?
The IUPAC name of Phenetole (CID 7674) is ethoxybenzene.
What is the SMILES notation for Phenetole?
The canonical SMILES for Phenetole is CCOC1=CC=CC=C1.
What is the InChIKey of Phenetole?
The InChIKey is DLRJIFUOBPOJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O/c1-2-9-8-6-4-3-5-7-8/h3-7H,2H2,1H3.
What are the key properties of Phenetole?
Phenetole has a molecular weight of 122.16 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for Phenetole is sourced from PubChem (CID 7674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).