propoxybenzene

C9H12O — CID 12155

IUPACpropoxybenzene
SMILESCCCOc1ccccc1
InChIInChI=1S/C9H12O/c1-2-8-10-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKeyDSNYFFJTZPIKFZ-UHFFFAOYSA-N
MW136.19 g/mol
LogP2.48
Rot. Bonds3

About propoxybenzene

propoxybenzene (PubChem CID 12155) has the molecular formula C9H12O and a molecular weight of 136.19 g/mol. Its IUPAC name is propoxybenzene.

Molecular Properties

Compound Namepropoxybenzene
PubChem CID12155
Molecular FormulaC9H12O
Molecular Weight136.19 g/mol
Exact Mass136.09
IUPAC Namepropoxybenzene
SMILESCCCOc1ccccc1
InChIInChI=1S/C9H12O/c1-2-8-10-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKeyDSNYFFJTZPIKFZ-UHFFFAOYSA-N
XLogP2.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.19
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of propoxybenzene?
The IUPAC name of propoxybenzene (CID 12155) is propoxybenzene.
What is the SMILES notation for propoxybenzene?
The canonical SMILES for propoxybenzene is CCCOc1ccccc1.
What is the InChIKey of propoxybenzene?
The InChIKey is DSNYFFJTZPIKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O/c1-2-8-10-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3.
What are the key properties of propoxybenzene?
propoxybenzene has a molecular weight of 136.19 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for propoxybenzene is sourced from PubChem (CID 12155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).