propoxybenzene;sulfur dioxide

C18H24O4S — CID 174403655

IUPACpropoxybenzene;sulfur dioxide
SMILESCCCOc1ccccc1.CCCOc1ccccc1.O=S=O
InChIInChI=1S/2C9H12O.O2S/c2*1-2-8-10-9-6-4-3-5-7-9;1-3-2/h2*3-7H,2,8H2,1H3;
InChIKeyAUDMZSQIQWEVEG-UHFFFAOYSA-N
MW336.45 g/mol
LogP4.28
Rot. Bonds6

About propoxybenzene;sulfur dioxide

propoxybenzene;sulfur dioxide (PubChem CID 174403655) has the molecular formula C18H24O4S and a molecular weight of 336.45 g/mol. Its IUPAC name is propoxybenzene;sulfur dioxide.

Molecular Properties

Compound Namepropoxybenzene;sulfur dioxide
PubChem CID174403655
Molecular FormulaC18H24O4S
Molecular Weight336.45 g/mol
Exact Mass336.14
IUPAC Namepropoxybenzene;sulfur dioxide
SMILESCCCOc1ccccc1.CCCOc1ccccc1.O=S=O
InChIInChI=1S/2C9H12O.O2S/c2*1-2-8-10-9-6-4-3-5-7-9;1-3-2/h2*3-7H,2,8H2,1H3;
InChIKeyAUDMZSQIQWEVEG-UHFFFAOYSA-N
XLogP4.28
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.45
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of propoxybenzene;sulfur dioxide?
The IUPAC name of propoxybenzene;sulfur dioxide (CID 174403655) is propoxybenzene;sulfur dioxide.
What is the SMILES notation for propoxybenzene;sulfur dioxide?
The canonical SMILES for propoxybenzene;sulfur dioxide is CCCOc1ccccc1.CCCOc1ccccc1.O=S=O.
What is the InChIKey of propoxybenzene;sulfur dioxide?
The InChIKey is AUDMZSQIQWEVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H12O.O2S/c2*1-2-8-10-9-6-4-3-5-7-9;1-3-2/h2*3-7H,2,8H2,1H3;.
What are the key properties of propoxybenzene;sulfur dioxide?
propoxybenzene;sulfur dioxide has a molecular weight of 336.45 g/mol, XLogP of 4.28, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propoxybenzene;sulfur dioxide is sourced from PubChem (CID 174403655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).